Geometry & MOs

Info

ID:	39739
PubChem CID:	8142104
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	358.249452
ΔH_f, kcal/mol:	-55.0
Dipole, Da:	6.33
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations