Geometry & MOs

Info

ID:	1777
PubChem CID:	5033
Reduced:	ClO6H17C18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	364.071366
ΔH_f, kcal/mol:	-186.88
Dipole, Da:	5.3
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

Drug info:

PubChemData

Smile

CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1

DOS

IR

Vibrations