Geometry & MOs

Info

ID:	276483
PubChem CID:	103823738
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	2.84
IP(EA), eV:	-10.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(2,6-dimethylpyridin-3-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=CC=C1)S(=O)(=O)NC(C)(C)C2CC2

DOS

IR

Vibrations