Geometry & MOs

Info

ID:	287891
PubChem CID:	104297599
Reduced:	BrNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	357.034
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	4.32
IP(EA), eV:	-8.95(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(CC2=CC=CC=C2OC)N)Br

DOS

IR

Vibrations