Geometry & MOs

Info

ID:	293918
PubChem CID:	117416169
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	264.055322
ΔH_f, kcal/mol:	6.58
Dipole, Da:	1.75
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-3-hydroxynaphthalen-2-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(=C)COC1=C(C=C(C=C1)C2=CC(=NO2)N)Cl

DOS

IR

Vibrations