Geometry & MOs

Info

ID:	252828
PubChem CID:	103114395
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	4.91
IP(EA), eV:	-9.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCN2CCCC2)C(=O)OCC=C

DOS

IR

Vibrations