Geometry & MOs

Info

ID:	282870
PubChem CID:	103942961
Reduced:	NO2C14H27 (1)
Stoich.:	AB2C14D27 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-142.65
Dipole, Da:	4.13
IP(EA), eV:	-9.52(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-(2-prop-2-enylsulfanylethylamino)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNC(=O)COC(C)(C)C

DOS

IR

Vibrations