Geometry & MOs

Info

ID:	128497
PubChem CID:	51047226
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	273.116507
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	1.12
IP(EA), eV:	-8.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2-ethoxy-6-[(5-fluoro-2-methylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C/C(=C/NC2=CC(=C(C=C2)C)F)/C1=O

DOS

IR

Vibrations