Geometry & MOs

Info

ID:	331942
PubChem CID:	127250228
Reduced:	FO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	3.06
IP(EA), eV:	-9.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbenzimidazol-1-yl)-1-[2-[5-[(4-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations