Geometry & MOs

Info

ID:	128500
PubChem CID:	51047230
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	289.086956
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	3.53
IP(EA), eV:	-8.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations