Geometry & MOs

Info

ID:	271843
PubChem CID:	103694297
Reduced:	BrNC10H14 (1)
Stoich.:	ABC10D14 (1)
Weight, g/mol:	231.123484
ΔH_f, kcal/mol:	3.2
Dipole, Da:	1.79
IP(EA), eV:	-9.26(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3,3,3-trifluoro-1-(4-propan-2-ylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC(=C(C=C1)C)Br)N

DOS

IR

Vibrations