Geometry & MOs

Info

ID:	51106
PubChem CID:	12013730
Reduced:	OH16C21 (1)
Stoich.:	AB16C21 (1)
Weight, g/mol:	568.24023
ΔH_f, kcal/mol:	37.33
Dipole, Da:	1.92
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C=C[C@H]3[C@@H](C2=CC=C1)C4=C(O3)C=CC5=CC=CC=C54

DOS

IR

Vibrations