Geometry & MOs

Info

ID:	287890
PubChem CID:	104297539
Reduced:	BrFN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	34.78
Dipole, Da:	1.42
IP(EA), eV:	-8.69(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(C(=NN2)N)C3=CC=CC=C3F)Br

DOS

IR

Vibrations