Geometry & MOs

Info

ID:	56568
PubChem CID:	17436364
Reduced:	N3O5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	371.17644
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	6.33
IP(EA), eV:	-8.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations