Geometry & MOs

Info

ID:	252565
PubChem CID:	103112335
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	4.11
IP(EA), eV:	-10.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(1-amino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NC(=NO2)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations