Geometry & MOs

Info

ID:	353048
PubChem CID:	127284198
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	5.78
IP(EA), eV:	-8.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CCNC(=O)C2(CCCCC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations