Geometry & MOs

Info

ID:	190360
PubChem CID:	77991861
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	362.115424
ΔH_f, kcal/mol:	27.25
Dipole, Da:	4.7
IP(EA), eV:	-8.09(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(3-carboxyphenyl)methylidene]-2-oxocyclohexylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(C=C3)NC)C2=O

DOS

IR

Vibrations