Geometry & MOs

Info

ID:	251656
PubChem CID:	103105705
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	4.23
IP(EA), eV:	-10.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[(2-methylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC(C2=CC=CC=C2)O)C(=O)OC

DOS

IR

Vibrations