Geometry & MOs

Info

ID:	293738
PubChem CID:	117398371
Reduced:	BrNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	257.04153
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	3.02
IP(EA), eV:	-8.77(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-3-methoxy-4-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C(=C2C1)Br)O)CON

DOS

IR

Vibrations