Geometry & MOs

Info

ID:	260499
PubChem CID:	103193975
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	0.85
IP(EA), eV:	-9.62(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(3-nitrophenyl)pentanoic acid

Drug info:

PubChemData

Smile

C1CNCCC1(C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations