Geometry & MOs

Info

ID:	288640
PubChem CID:	104322415
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-153.64
Dipole, Da:	3.01
IP(EA), eV:	-9.19(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridine-4-carbonitrile

Drug info:

PubChemData

Smile

COCC(CN1CC2CCC(C2C1)O)O

DOS

IR

Vibrations