Geometry & MOs

Info

ID:	1537
PubChem CID:	4661
Reduced:	NO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	181.037508
ΔH_f, kcal/mol:	-71.76
Dipole, Da:	3.31
IP(EA), eV:	-10.95(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations