Geometry & MOs

Info

ID:	202628
PubChem CID:	79701889
Reduced:	FNBr2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	313.08414
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	2.43
IP(EA), eV:	-8.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC(=C1)Br)F)(C2=CC=CC=C2Br)N

DOS

IR

Vibrations