Geometry & MOs

Info

ID:	197135
PubChem CID:	78928177
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	304.104563
ΔH_f, kcal/mol:	-49.0
Dipole, Da:	2.62
IP(EA), eV:	-9.05(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)NC(=O)C2CCCOC2

DOS

IR

Vibrations