Geometry & MOs

Info

ID:	203414
PubChem CID:	79827745
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	294.132805
ΔH_f, kcal/mol:	-76.04
Dipole, Da:	8.17
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(6-amino-5-nitropyridin-2-yl)amino]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

C1CC2CC1C(C2NC3=NC(=C(C=C3)[N+](=O)[O-])N)C(=O)O

DOS

IR

Vibrations