Geometry & MOs

Info

ID:	248311
PubChem CID:	103080498
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	268.117155
ΔH_f, kcal/mol:	-65.07
Dipole, Da:	6.29
IP(EA), eV:	-9.0(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[cyclopropyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCCCC2CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations