Geometry & MOs

Info

ID:	216259
PubChem CID:	85085959
Reduced:	SO3C12H22 (1)
Stoich.:	AB3C12D22 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	-137.4
Dipole, Da:	3.8
IP(EA), eV:	-8.88(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[2-(4-methylsulfanylphenyl)ethenyl]-5,6-dihydro-4H-pyrimidine

Drug info:

PubChemData

Smile

CC(CCOC(C#CC(C)(C)O)C(C)S)O

DOS

IR

Vibrations