Geometry & MOs

Info

ID:	344549
PubChem CID:	127268133
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	4.61
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-3-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)C3CCN(C3=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations