Geometry & MOs

Info

ID:	80693
PubChem CID:	49835902
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	326.022498
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	2.71
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(CCCC2=O)N=C1

DOS

IR

Vibrations