Geometry & MOs

Info

ID:	246080
PubChem CID:	103043184
Reduced:	ClNF3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	307.11392
ΔH_f, kcal/mol:	-112.9
Dipole, Da:	1.88
IP(EA), eV:	-9.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations