Geometry & MOs

Info

ID:	353047
PubChem CID:	127284197
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-52.58
Dipole, Da:	3.05
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)ethyl]-1-(3-chlorophenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CCNC(=O)C2=C3CCCC3=NC4=CC=CC=C42

DOS

IR

Vibrations