Geometry & MOs

Info

ID:	166232
PubChem CID:	74653543
Reduced:	NO7H21C22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-215.16
Dipole, Da:	2.13
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzyltriazol-4-yl)-N-pentylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)CCN2C(=O)COC3=CC=CC=C32

DOS

IR

Vibrations