Geometry & MOs

Info

ID:	157999
PubChem CID:	56459388
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	398.191818
ΔH_f, kcal/mol:	-101.99
Dipole, Da:	5.01
IP(EA), eV:	-8.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)NC2=CC(=C(C=C2)C)NC(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations