Geometry & MOs

Info

ID:	252809
PubChem CID:	103114284
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	6.64
IP(EA), eV:	-8.98(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C=NC=C1C2CCCC(N2)C

DOS

IR

Vibrations