Geometry & MOs

Info

ID:	195267
PubChem CID:	78667395
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	399.20323
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	1.82
IP(EA), eV:	-8.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(C)C(=O)NC3CCCCC3

DOS

IR

Vibrations