Geometry & MOs

Info

ID:	202680
PubChem CID:	79709614
Reduced:	BrFNC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	337.04775
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	3.47
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations