Geometry & MOs

Info

ID:	392709
PubChem CID:	135017712
Reduced:	IH27C28 (1)
Stoich.:	AB27C28 (1)
Weight, g/mol:	488.1001
ΔH_f, kcal/mol:	68.18
Dipole, Da:	2.38
IP(EA), eV:	-8.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-iodophenyl)-12-phenyl-6,7,8,9,10,11-hexahydrocycloocta[b]naphthalene

Drug info:

PubChemData

Smile

CCCC1=C(C2=CC=CC=C2C(=C1CCC)C3=CC=C(C=C3)I)C4=CC=CC=C4

DOS

IR

Vibrations