Geometry & MOs

Info

ID:	17173
PubChem CID:	486760
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	1.23
Dipole, Da:	5.17
IP(EA), eV:	-9.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-ylsulfanyl-6-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)SC1=NC(=O)C=C(N1)CC2=CN=CC=C2

DOS

IR

Vibrations