Geometry & MOs

Info

ID:	262558
PubChem CID:	103301246
Reduced:	BrO2F3H8C14 (1)
Stoich.:	AB2C3D8E14 (1)
Weight, g/mol:	296.1388
ΔH_f, kcal/mol:	-155.55
Dipole, Da:	1.48
IP(EA), eV:	-9.55(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,4,5-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)C2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations