Geometry & MOs

Info

ID:	84269
PubChem CID:	49865163
Reduced:	O3N5C32H37 (1)
Stoich.:	A3B5C32D37 (1)
Weight, g/mol:	539.28964
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	5.24
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=O)C5CCN(CC5)CC6=CC=NC=C6

DOS

IR

Vibrations