Geometry & MOs

Info

ID:	321925
PubChem CID:	126667394
Reduced:	N3O3H11C16 (1)
Stoich.:	A3B3C11D16 (1)
Weight, g/mol:	265.073893
ΔH_f, kcal/mol:	-14.44
Dipole, Da:	8.37
IP(EA), eV:	-9.48(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CN1C2=CC(=CC(=C2C=N1)C3=CC(=C(C=C3)C(=O)O)O)C#N

DOS

IR

Vibrations