Geometry & MOs

Info

ID:	36496
PubChem CID:	8007644
Reduced:	N2O3H18C23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	311.022832
ΔH_f, kcal/mol:	-21.78
Dipole, Da:	8.66
IP(EA), eV:	-8.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2-(3,5-dichloropyridin-2-yl)hydrazinyl]ethylidene]-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(=C1C=CC2=CC=CC=C2C1=O)NNC(=O)C3=CC4=CC=CC=C4C=C3O

DOS

IR

Vibrations