Geometry & MOs

Info

ID:	287928
PubChem CID:	104299922
Reduced:	NOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	2.4
IP(EA), eV:	-9.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(4-bromo-3-methylphenyl)-2-pyridin-2-ylpropan-1-ol

Drug info:

PubChemData

Smile

CCCN(CCBr)C(=O)C1=CC(=C(C=C1)Br)C

DOS

IR

Vibrations