Geometry & MOs

Info

ID:	312252
PubChem CID:	126603901
Reduced:	SO3N4C10H18 (1)
Stoich.:	AB3C4D10E18 (1)
Weight, g/mol:	199.074562
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	3.15
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-hydroxy-1,4-dihydropyrimidin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

COC(CN)COC1=NSN=C1N2CCOCC2

DOS

IR

Vibrations