Geometry & MOs

Info

ID:	397357
PubChem CID:	135030105
Reduced:	F2N3O5H25C29 (1)
Stoich.:	A2B3C5D25E29 (1)
Weight, g/mol:	140.0626
ΔH_f, kcal/mol:	-164.88
Dipole, Da:	5.04
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2,3-didehydronaphthalene

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)F)C(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations