Geometry & MOs

Info

ID:	221590
PubChem CID:	85281228
Reduced:	SN2O2F3C10H15 (1)
Stoich.:	AB2C2D3E10F15 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-197.53
Dipole, Da:	13.12
IP(EA), eV:	-8.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1-(2-phenoxyethyl)-3a,4,5,6,7,7a-hexahydro-2H-indazol-3-one

Drug info:

PubChemData

Smile

CCN(CC)C=CC=CC=NS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations