Geometry & MOs

Info

ID:	203415
PubChem CID:	79827746
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-98.76
Dipole, Da:	4.37
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-amino-5-nitropyridin-2-yl)amino]-4,4-dimethylhexanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)O)NC2=NC(=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations