Geometry & MOs

Info

ID:	128492
PubChem CID:	51047044
Reduced:	FNOH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	275.071306
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	4.42
IP(EA), eV:	-8.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-chloro-6-[(2-ethoxyanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N/C=C/2\C=CC=CC2=O)F

DOS

IR

Vibrations