Geometry & MOs

Info

ID:	342384
PubChem CID:	127265207
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-24.31
Dipole, Da:	3.29
IP(EA), eV:	-8.71(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-hex-3-enyl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCCCN2CCCC2

DOS

IR

Vibrations