Geometry & MOs

Info

ID:	396675
PubChem CID:	135029020
Reduced:	FOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-161.53
Dipole, Da:	3.11
IP(EA), eV:	-10.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(4-methylanilino)methyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C)/C1=C(C=CC=C1F)F

DOS

IR

Vibrations