Geometry & MOs

Info

ID:	16067
PubChem CID:	459000
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-136.91
Dipole, Da:	9.57
IP(EA), eV:	-9.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(N,2,4-trimethyl-5-nitroanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N(C)C(=O)CCC(=O)O)[N+](=O)[O-])C

DOS

IR

Vibrations