Geometry & MOs

Info

ID:	84185
PubChem CID:	49864865
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	7.22
IP(EA), eV:	-8.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[1-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CC5=CC=CC=N5

DOS

IR

Vibrations