Geometry & MOs

Info

ID:	325597
PubChem CID:	126684126
Reduced:	O5H14C16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-162.82
Dipole, Da:	3.07
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-methyloctyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)O

DOS

IR

Vibrations