Geometry & MOs

Info

ID:	195357
PubChem CID:	78677486
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	354.198166
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	5.86
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)CN2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations