Geometry & MOs

Info

ID:	248202
PubChem CID:	103079650
Reduced:	ClO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	214.070205
ΔH_f, kcal/mol:	48.64
Dipole, Da:	5.48
IP(EA), eV:	-9.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

DOS

IR

Vibrations