Geometry & MOs

Info

ID:	442486
PubChem CID:	135252378
Reduced:	FNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	390.183109
ΔH_f, kcal/mol:	-140.94
Dipole, Da:	5.22
IP(EA), eV:	-9.4(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-5-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=C(C=NC(=C3)/C=C/C(=O)O)F)C(COC2(C)C)(C)C

DOS

IR

Vibrations