Geometry & MOs

Info

ID:	17212
PubChem CID:	488408
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	300.129634
ΔH_f, kcal/mol:	-7.68
Dipole, Da:	7.47
IP(EA), eV:	-9.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylsulfanyl-6-(1-phenylethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C2=CC(=O)N=C(N2)SC3CCCC3

DOS

IR

Vibrations