Geometry & MOs

Info

ID:	260497
PubChem CID:	103193973
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	2.89
IP(EA), eV:	-10.55(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-(3-nitrophenyl)butanoic acid

Drug info:

PubChemData

Smile

C1CCC2(C1)CC(C2)(C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations