Geometry & MOs

Info

ID:	156255
PubChem CID:	56369838
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	7.95
Dipole, Da:	10.65
IP(EA), eV:	-8.49(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylphenoxy)ethyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations