Geometry & MOs

Info

ID:	128498
PubChem CID:	51047228
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	289.086956
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	5.21
IP(EA), eV:	-8.14(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(3-chloro-2-methylanilino)methylidene]-2-ethoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations