Geometry & MOs

Info

ID:	169479
PubChem CID:	75108673
Reduced:	OH17C27 (2)
Stoich.:	AB17C27 (2)
Weight, g/mol:	294.16198
ΔH_f, kcal/mol:	285.32
Dipole, Da:	1.16
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzhydryl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran

Drug info:

PubChemData

Smile

CC12C3C4C5=C(C1=C=CC6=CC=CC=C6C#CC7=CC=CC=C7)C=CC=C5C(=O)C4(C(=C=CC8=CC=CC=C8C#CC9=CC=CC=C9)C1=C3C(=CC=C1)C2=O)C

DOS

IR

Vibrations