Geometry & MOs

Info

ID:	246078
PubChem CID:	103043079
Reduced:	BrClFNOH14C15 (1)
Stoich.:	ABCDEF14G15 (1)
Weight, g/mol:	373.00445
ΔH_f, kcal/mol:	-49.86
Dipole, Da:	2.9
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CC2=CC(=C(C=C2)F)Cl)N)Br

DOS

IR

Vibrations