Geometry & MOs

Info

ID:	73837
PubChem CID:	48420654
Reduced:	FO2N3H16C22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	414.132805
ΔH_f, kcal/mol:	8.27
Dipole, Da:	4.08
IP(EA), eV:	-9.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)C3=NN(C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations