Geometry & MOs

Info

ID:	248169
PubChem CID:	103079405
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	6.05
IP(EA), eV:	-9.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-4-nitropyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CNC2=NN(C=C2[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations