Geometry & MOs

Info

ID:	246088
PubChem CID:	103043390
Reduced:	BrFNCl2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	311.181606
ΔH_f, kcal/mol:	-15.24
Dipole, Da:	4.02
IP(EA), eV:	-9.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-4-cyclohexyl-N-ethylbutan-2-amine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C=C1)F)Cl)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations