Geometry & MOs

Info

ID:	203413
PubChem CID:	79827744
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	-100.89
Dipole, Da:	3.4
IP(EA), eV:	-9.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-amino-5-nitropyridin-2-yl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations