Geometry & MOs

Info

ID:	343277
PubChem CID:	127266450
Reduced:	BrClN2O5H12C18 (1)
Stoich.:	ABC2D5E12F18 (1)
Weight, g/mol:	375.042899
ΔH_f, kcal/mol:	-114.85
Dipole, Da:	1.92
IP(EA), eV:	-8.9(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(2Z)-2-(5,7-dichloro-8-hydroxy-1H-quinolin-2-ylidene)ethylidene]-2-ethoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=C/C(=C/C(=C/2\NC3=C(C=CC(=C3)C(=O)O)C(=O)N2)/Cl)/C=C(C1=O)Br

DOS

IR

Vibrations