Geometry & MOs

Info

ID:	24265
PubChem CID:	608874
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-182.21
Dipole, Da:	4.7
IP(EA), eV:	-8.63(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methyl]-2-ethylpropanedioate

Drug info:

PubChemData

Smile

CCC(CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C)(C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations