Geometry & MOs

Info

ID:	128499
PubChem CID:	51047229
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	289.086956
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	3.31
IP(EA), eV:	-8.12(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(4-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)Cl)C)/C1=O

DOS

IR

Vibrations