Geometry & MOs

Info

ID:	201510
PubChem CID:	79549569
Reduced:	ClNOC17H22 (1)
Stoich.:	ABCD17E22 (1)
Weight, g/mol:	315.079284
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	1.42
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichlorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C2CCCN2CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations