Geometry & MOs

Info

ID:	252782
PubChem CID:	103114107
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	5.01
IP(EA), eV:	-10.23(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-[(3-propylimidazol-4-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N2C(=C(N=N2)C(=O)OCC=C)C

DOS

IR

Vibrations