Geometry & MOs

Info

ID:	247153
PubChem CID:	103068247
Reduced:	SN2F3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	267.140533
ΔH_f, kcal/mol:	-133.68
Dipole, Da:	4.51
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(ethylaminomethyl)prop-2-enylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CSC1=NC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations