Geometry & MOs

Info

ID:	252626
PubChem CID:	103112786
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	4.2
IP(EA), eV:	-10.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NOC(=N2)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations