Geometry & MOs

Info

ID:	252805
PubChem CID:	103114274
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	4.58
IP(EA), eV:	-9.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=C(N=CC=C2)OC)C(=O)OCC=C

DOS

IR

Vibrations