Geometry & MOs

Info

ID:	16411
PubChem CID:	467340
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	3.5
Dipole, Da:	7.8
IP(EA), eV:	-9.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-enylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC=CCSC1=NC(=O)C=C(N1)CC2=CC=CC(=C2)C

DOS

IR

Vibrations