Geometry & MOs

Info

ID:	195359
PubChem CID:	78677488
Reduced:	FON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	381.192666
ΔH_f, kcal/mol:	-27.48
Dipole, Da:	3.54
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=CC=C(C=C3)F

DOS

IR

Vibrations