Geometry & MOs

Info

ID:	197137
PubChem CID:	78928430
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	320.075012
ΔH_f, kcal/mol:	53.25
Dipole, Da:	7.52
IP(EA), eV:	-9.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]-6-methylpyridin-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)O)CNC(C)C2=NN=C3N2C=CC=C3

DOS

IR

Vibrations