Geometry & MOs

Info

ID:	178884
PubChem CID:	76396065
Reduced:	FN2O2H21C24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	343.168462
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	8.03
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylanilino)-2-[2-(3-methylanilino)-5-oxocyclopent-3-en-1-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=CC(=C2)C(=NNC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations