Geometry & MOs

Info

ID:	246077
PubChem CID:	103042663
Reduced:	ClFNOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	356.99313
ΔH_f, kcal/mol:	-97.82
Dipole, Da:	4.14
IP(EA), eV:	-9.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CCCC(CC(=O)CC1=CC(=C(C=C1)F)Cl)N

DOS

IR

Vibrations