Geometry & MOs

Info

ID:	152897
PubChem CID:	56311984
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	401.106168
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	4.94
IP(EA), eV:	-8.24(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)COC1CCN(CC1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations