Geometry & MOs

Info

ID:	182324
PubChem CID:	76875238
Reduced:	BrOSN3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	277.15904
ΔH_f, kcal/mol:	40.06
Dipole, Da:	1.97
IP(EA), eV:	-8.98(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-2-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(S2)C=NNC(=O)N)Br

DOS

IR

Vibrations