Geometry & MOs

Info

ID:	265455
PubChem CID:	103522990
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	349.06774
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	3.93
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1CCCCC1(C2=C(C(=C(C=C2)OC)Br)OC)N

DOS

IR

Vibrations