Geometry & MOs

Info

ID:	248313
PubChem CID:	103080517
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	217.059974
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	7.9
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-4-nitropyrazol-3-yl)pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCC(CC2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations