Geometry & MOs

Info

ID:	28343
PubChem CID:	827127
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	214.998535
ΔH_f, kcal/mol:	-0.63
Dipole, Da:	2.45
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5-nitrophenyl)acetic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations