Geometry & MOs

Info

ID:	187618
PubChem CID:	77598063
Reduced:	ClON3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	383.200905
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	5.21
IP(EA), eV:	-8.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1C2CCC(CC2NN1)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations