Geometry & MOs

Info

ID:	393923
PubChem CID:	135021963
Reduced:	AuNPS2F6O6C37H54 (1)
Stoich.:	ABCD2E6F6G37H54 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-410.11
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.782665
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethoxy-2-(2-methylprop-2-enyl)-1,2-dihydronaphthalene

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2[PH+](C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Au+]

DOS

IR

Vibrations