Geometry & MOs

Info

ID:	174502
PubChem CID:	75774959
Reduced:	FON4C26H29 (1)
Stoich.:	ABC4D26E29 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	3.87
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxooxolan-3-yl) 1-benzyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CC(=N3)C4=C(C=C(C=C4C)C)C)F

DOS

IR

Vibrations