Geometry & MOs

Info

ID:	271840
PubChem CID:	103694111
Reduced:	N2F3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	241.04661
ΔH_f, kcal/mol:	-116.79
Dipole, Da:	6.39
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromo-4-methylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C2=CC=C(C=C2)C(F)(F)F)N

DOS

IR

Vibrations