Geometry & MOs

Info

ID:	247144
PubChem CID:	103068146
Reduced:	OSN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	16.5
Dipole, Da:	5.4
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(propan-2-ylamino)methyl]prop-2-enylsulfanyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CSC2=NC=CC(=O)N2

DOS

IR

Vibrations