Geometry & MOs

Info

ID:	267415
PubChem CID:	103582157
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	-81.41
Dipole, Da:	1.21
IP(EA), eV:	-8.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3,5-dimethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=CC=C(O2)C(=O)OC

DOS

IR

Vibrations