Geometry & MOs

Info

ID:	51107
PubChem CID:	12013731
Reduced:	OH16C21 (2)
Stoich.:	AB16C21 (2)
Weight, g/mol:	568.24023
ΔH_f, kcal/mol:	82.93
Dipole, Da:	0.22
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-benzo[e][1]benzofuran-2-yl-2,4-bis(2-methylphenyl)cyclobutyl]benzo[e][1]benzofuran

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@H]([C@H]([C@@H]2C3=CC4=C(O3)C=CC5=CC=CC=C54)C6=CC7=C(O6)C=CC8=CC=CC=C87)C9=CC=CC=C9C

DOS

IR

Vibrations