Geometry & MOs

Info

ID:	124493
PubChem CID:	50885202
Reduced:	NOF3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	272.079707
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	1.99
IP(EA), eV:	-8.77(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)C

DOS

IR

Vibrations