Geometry & MOs

Info

ID:	347890
PubChem CID:	127272952
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-136.95
Dipole, Da:	4.59
IP(EA), eV:	-8.59(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCCC2)N3CCN(CC3)C

DOS

IR

Vibrations