Geometry & MOs

Info

ID:	201759
PubChem CID:	79577663
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	281.156184
ΔH_f, kcal/mol:	10.23
Dipole, Da:	4.81
IP(EA), eV:	-8.72(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(ethylamino)cyclopentyl]ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC2CCCC2(C#N)NC3CC3

DOS

IR

Vibrations