Geometry & MOs

Info

ID:	207668
PubChem CID:	80435502
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	246.116841
ΔH_f, kcal/mol:	-7.71
Dipole, Da:	9.11
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-6-(2-methylpropyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=O)N=C(N1)CSC2=CC=CC=C2

DOS

IR

Vibrations