Geometry & MOs

Info

ID:	252560
PubChem CID:	103112295
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	298.12772
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	4.83
IP(EA), eV:	-10.13(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCNC(=O)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations