Geometry & MOs

Info

ID:	187617
PubChem CID:	77598062
Reduced:	N2O2F3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	321.16079
ΔH_f, kcal/mol:	-207.57
Dipole, Da:	3.13
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(3-chlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CC2C(CC1C(F)(F)F)NC(NC2=O)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations