Geometry & MOs

Info

ID:	84268
PubChem CID:	49865162
Reduced:	ClO2N5C31H34 (1)
Stoich.:	AB2C5D31E34 (1)
Weight, g/mol:	539.28964
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	6.95
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)Cl)CC6=CC=NC=C6

DOS

IR

Vibrations