Geometry & MOs

Info

ID:	422764
PubChem CID:	135118367
Reduced:	ON3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-7.03
Dipole, Da:	4.35
IP(EA), eV:	-8.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[1-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C3CCCC3=C2)N4CCN(C(C4)CCO)CC5CC5

DOS

IR

Vibrations