Geometry & MOs

Info

ID:	51109
PubChem CID:	12013733
Reduced:	OH16C21 (2)
Stoich.:	AB16C21 (2)
Weight, g/mol:	466.19328
ΔH_f, kcal/mol:	86.56
Dipole, Da:	0.96
IP(EA), eV:	-8.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C\[C@]23[C@H]([C@@H]([C@H]2C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6C)C7=CC8=C(O7)C=CC9=CC=CC=C98

DOS

IR

Vibrations