Geometry & MOs

Info

ID:	251638
PubChem CID:	103105549
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-41.21
Dipole, Da:	3.27
IP(EA), eV:	-10.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-ethylbutyl)-5-pyridin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(CN1C(=C(N=N1)C(=O)OC)C2=CC=NC=C2)O

DOS

IR

Vibrations