Geometry & MOs

Info

ID:	410790
PubChem CID:	135083591
Reduced:	BO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	194.02469
ΔH_f, kcal/mol:	-286.97
Dipole, Da:	3.3
IP(EA), eV:	-10.41(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-3a,8b-dihydro-1H-[1]benzofuro[3,2-c]pyrazole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/COC(=O)OC

DOS

IR

Vibrations