Geometry & MOs

Info

ID:	246079
PubChem CID:	103043123
Reduced:	BrClNF2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	299.068862
ΔH_f, kcal/mol:	-63.43
Dipole, Da:	4.49
IP(EA), eV:	-9.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations