Geometry & MOs

Info

ID:	372371
PubChem CID:	131296643
Reduced:	NOS2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	208.096026
ΔH_f, kcal/mol:	35.96
Dipole, Da:	3.95
IP(EA), eV:	-9.06(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(5-nitropyridin-3-yl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CSC1=CC=C(S1)C(=O)C2=CN=CC=C2

DOS

IR

Vibrations