Geometry & MOs

Info

ID:	312677
PubChem CID:	126607269
Reduced:	ClNPO3C17H21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	417.112316
ΔH_f, kcal/mol:	-158.6
Dipole, Da:	2.56
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(3,5-dichlorophenyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)CNP(OC1=CC=CC2=CC=CC=C21)Cl

DOS

IR

Vibrations