Geometry & MOs

Info

ID:	412902
PubChem CID:	135085839
Reduced:	NaSO4C8H13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-193.56
Dipole, Da:	10.44
IP(EA), eV:	-10.37(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate

Drug info:

PubChemData

Smile

CCCCC[C@@H](C#C)OS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations