Geometry & MOs

Info

ID:	442299
PubChem CID:	135251132
Reduced:	FO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-143.24
Dipole, Da:	6.61
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(COC(C2=C1C=C(C=C2)C(=C)C3=CC(=C(C=C3)C(=O)O)F)(C)C)C

DOS

IR

Vibrations