Geometry & MOs

Info

ID:	182157
PubChem CID:	76853832
Reduced:	FCl2N2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	1.53
IP(EA), eV:	-8.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-6-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C=CCN1CC(C2=C1C=CC(=C2)F)N.Cl.Cl

DOS

IR

Vibrations