Geometry & MOs

Info

ID:	445932
PubChem CID:	135269961
Reduced:	FO2N6C25H27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	546.214617
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	2.94
IP(EA), eV:	-8.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-4-[2-[(3R)-oxolan-3-yl]ethyl]phenyl]-3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)C4=C(C=C(C=C4)CNC(C)CO)F)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)C4=C(C=C(C=C4)CNC(C)CO)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):