Geometry & MOs

Info

ID:	255382
PubChem CID:	103131692
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-68.71
Dipole, Da:	3.04
IP(EA), eV:	-9.4(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(1-methylpyrazol-3-yl)propanedioate

Drug info:

PubChemData

Smile

CCC(C1=NN(C=C1)C)C(=O)OCC

DOS

IR

Vibrations