Geometry & MOs

Info

ID:	122013
PubChem CID:	50789581
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	458.211804
ΔH_f, kcal/mol:	-24.9
Dipole, Da:	3.89
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-methylpropanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC3=C(C=C2)N(CC3)C(=O)COC4=CC=CC(=C4)C

DOS

IR

Vibrations