Geometry & MOs

Info

ID:	252823
PubChem CID:	103114366
Reduced:	N4O5C12H12 (1)
Stoich.:	A4B5C12D12 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-17.33
Dipole, Da:	1.53
IP(EA), eV:	-10.53(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-(cyclobutylmethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=C(O2)[N+](=O)[O-])C(=O)OCC=C

DOS

IR

Vibrations