Geometry & MOs

Info

ID:	126494
PubChem CID:	50966307
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	6.77
Dipole, Da:	1.93
IP(EA), eV:	-8.65(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]methyl]-6-methylchromen-4-one

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC=C2CC(=O)N(CC=C)CC3=CC=CO3

DOS

IR

Vibrations