Geometry & MOs

Info

ID:	163254
PubChem CID:	57655101
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	475.190566
ΔH_f, kcal/mol:	-110.24
Dipole, Da:	4.23
IP(EA), eV:	-9.18(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-pyridin-3-ylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CNCCCNC(=O)CCCN1C(=O)C=CC1=O

DOS

IR

Vibrations