Geometry & MOs

Info

ID:	55850
PubChem CID:	17396677
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-85.16
Dipole, Da:	4.86
IP(EA), eV:	-8.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NC2=CC=CC=C2O

DOS

IR

Vibrations