Geometry & MOs

Info

ID:	225476
PubChem CID:	85852490
Reduced:	ClOSC7H7 (1)
Stoich.:	ABCD7E7 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	2.05
IP(EA), eV:	-9.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylidene-2-piperidin-1-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)SCO

DOS

IR

Vibrations