Geometry & MOs

Info

ID:	321921
PubChem CID:	126667384
Reduced:	N2O3H16C19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	289.073893
ΔH_f, kcal/mol:	-50.77
Dipole, Da:	2.76
IP(EA), eV:	-9.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyanonaphthalen-1-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=C1C(=CC=C2)C3=CC(=C(C=C3)C(=O)O)O)C#N

DOS

IR

Vibrations