Geometry & MOs

Info

ID:	372758
PubChem CID:	131304100
Reduced:	ICl3H4C7 (1)
Stoich.:	AB3C4D7 (1)
Weight, g/mol:	185.101606
ΔH_f, kcal/mol:	11.45
Dipole, Da:	1.86
IP(EA), eV:	-9.67(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-fluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)Cl)I)CCl

DOS

IR

Vibrations