Geometry & MOs

Info

ID:	199947
PubChem CID:	79321902
Reduced:	ClN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	318.06193
ΔH_f, kcal/mol:	-52.65
Dipole, Da:	7.44
IP(EA), eV:	-9.77(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-methoxynaphthalene

Drug info:

PubChemData

Smile

C1=CN(C(=C1)C(=O)NC2=CC(=C(C=C2)C#N)Cl)CC(=O)O

DOS

IR

Vibrations