Geometry & MOs

Info

ID:	131168
PubChem CID:	51168328
Reduced:	N4O4C19H28 (1)
Stoich.:	A4B4C19D28 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	4.09
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C(C)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations