Geometry & MOs

Info

ID:	247158
PubChem CID:	103068278
Reduced:	SN5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	62.38
Dipole, Da:	7.23
IP(EA), eV:	-9.12(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(ethylaminomethyl)prop-2-enylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CSC1=NN=NN1C2CCCC2

DOS

IR

Vibrations