Geometry & MOs

Info

ID:	258302
PubChem CID:	103152787
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	315.088892
ΔH_f, kcal/mol:	-52.27
Dipole, Da:	3.82
IP(EA), eV:	-8.82(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CCN(CC1)CCC(CN)OC

DOS

IR

Vibrations