Geometry & MOs

Info

ID:	68079
PubChem CID:	46507721
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	326.082205
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	5.64
IP(EA), eV:	-8.52(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(4-ethylphenyl)-1,4-dihydrochromeno[2,3-c]pyrazol-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=C(N2)OC4=C(C3)C=CC=C4OCC

DOS

IR

Vibrations