Geometry & MOs

Info

ID:	332793
PubChem CID:	127251217
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	425.186318
ΔH_f, kcal/mol:	-33.92
Dipole, Da:	2.74
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)N2CCOC(C2)C3=NC=CN=C3C4=CC=C(C=C4)OC)CN(C)C

DOS

IR

Vibrations