Geometry & MOs

Info

ID:	187620
PubChem CID:	77598149
Reduced:	ON3F4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-165.26
Dipole, Da:	6.35
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CC1C3=C(C=CC(=C3)F)F)NNC2NC(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations