Geometry & MOs

Info

ID:	386911
PubChem CID:	134983344
Reduced:	H24C25 (1)
Stoich.:	A24B25 (1)
Weight, g/mol:	372.149222
ΔH_f, kcal/mol:	46.62
Dipole, Da:	0.64
IP(EA), eV:	-8.38(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-8,9-diethoxytetracyclo[10.6.0.02,5.06,11]octadeca-1(12),2(5),6,8,10-pentaen-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3C2)C)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations