Geometry & MOs

Info

ID:	252780
PubChem CID:	103114090
Reduced:	ON6C14H26 (1)
Stoich.:	AB6C14D26 (1)
Weight, g/mol:	259.106925
ΔH_f, kcal/mol:	-27.59
Dipole, Da:	4.44
IP(EA), eV:	-8.66(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-(pyrimidin-2-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NC(=C(C(=N1)NN)C)NC(C)C(=O)N(C)CC

DOS

IR

Vibrations