Geometry & MOs

Info

ID:	144989
PubChem CID:	53445597
Reduced:	NOSH9C10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	192.035734
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	4.63
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylthiophen-2-yl)-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C2=CNC(=O)C=C2

DOS

IR

Vibrations