Geometry & MOs

Info

ID:	79813
PubChem CID:	49830552
Reduced:	O2N4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	399.20591
ΔH_f, kcal/mol:	6.76
Dipole, Da:	4.98
IP(EA), eV:	-8.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]phenyl]-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1NC3=C(C=CC(=C3)NC4=CC=NC=C4)C(=O)N2

DOS

IR

Vibrations