Geometry & MOs

Info

ID:	186428
PubChem CID:	77430671
Reduced:	O2F3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	484.250812
ΔH_f, kcal/mol:	-243.79
Dipole, Da:	5.26
IP(EA), eV:	-9.23(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[(dimethylamino)methyl]-5-methylsulfonylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC2CC(=O)CCC2(C3=C(C1)C=C(C=C3)O)CC(F)(F)F

DOS

IR

Vibrations