Geometry & MOs

Info

ID:	445934
PubChem CID:	135269963
Reduced:	ON4H16C26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	512.253589
ΔH_f, kcal/mol:	266.26
Dipole, Da:	6.23
IP(EA), eV:	-8.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CN=C(C(=N3)C4=NC=C=C(O4)C5=CC=CC#C5)N

DOS

IR

Vibrations