Geometry & MOs

Info

ID:	202906
PubChem CID:	79743136
Reduced:	FSBr2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	327.09979
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	4.09
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(C3=CC(=C(C=C3)F)Br)Br

DOS

IR

Vibrations