Geometry & MOs

Info

ID:	257270
PubChem CID:	103144813
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-152.92
Dipole, Da:	10.53
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethyl-4-nitroanilino)-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)CC(C)(C)C(=O)O

DOS

IR

Vibrations