Geometry & MOs

Info

ID:	436996
PubChem CID:	135213597
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	469.224453
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	2.63
IP(EA), eV:	-9.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[1-[3-(2-propan-2-yloxy-2,3-dihydrobenzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)CC(=O)O)C(=O)C

DOS

IR

Vibrations