Geometry & MOs

Info

ID:	271703
PubChem CID:	103689345
Reduced:	FNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	192.035734
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	1.42
IP(EA), eV:	-9.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(CCO)NC

DOS

IR

Vibrations