Geometry & MOs

Info

ID:	12683
PubChem CID:	143750
Reduced:	BrNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	273.03644
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	4.17
IP(EA), eV:	-8.55(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2,4-dimethoxyphenyl)propan-2-amine

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1OC)OC)Br)N

DOS

IR

Vibrations