Geometry & MOs

Info

ID:	195056
PubChem CID:	78628142
Reduced:	FN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	5.3
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1-benzyltriazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)COC(=O)C=CC2=CN(N=N2)CC3=CC=CC=C3

DOS

IR

Vibrations