Geometry & MOs

Info

ID:	233577
PubChem CID:	91145495
Reduced:	F3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	227.034921
ΔH_f, kcal/mol:	-250.22
Dipole, Da:	2.69
IP(EA), eV:	-9.32(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-chloro-3,4-dihydro-1H-isochromene-8-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(COC1)COC2=CC=CC(=C2)C(=CC=CC(=O)O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations