Geometry & MOs

Info

ID:	223711
PubChem CID:	85335459
Reduced:	NO2C4H7 (5)
Stoich.:	AB2C4D7 (5)
Weight, g/mol:	511.25834
ΔH_f, kcal/mol:	-487.32
Dipole, Da:	5.47
IP(EA), eV:	-10.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[4-[5-(hydroxymethyl)-6-oxo-3-phenylpiperazin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations