Geometry & MOs

Info

ID:	203416
PubChem CID:	79827747
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-102.84
Dipole, Da:	8.61
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-amino-5-nitropyridin-2-yl)amino]-2-methylheptanoic acid

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)O)CCNC1=NC(=C(C=C1)[N+](=O)[O-])N

DOS

IR

Vibrations