Geometry & MOs

Info

ID:	252558
PubChem CID:	103112290
Reduced:	OSN3C14H25 (1)
Stoich.:	ABC3D14E25 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-50.92
Dipole, Da:	2.8
IP(EA), eV:	-8.86(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-[2-(methylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NCC2(CCCC2)CS1

DOS

IR

Vibrations