Geometry & MOs

Info

ID:	382025
PubChem CID:	134972928
Reduced:	O5C11H18 (1)
Stoich.:	A5B11C18 (1)
Weight, g/mol:	316.14633
ΔH_f, kcal/mol:	-242.82
Dipole, Da:	2.62
IP(EA), eV:	-10.48(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diphenyl-5-propyl-1,3-benzodioxole

Drug info:

PubChemData

Smile

COC(=O)C([C@H]1CCC[C@H](C1)O)C(=O)OC

DOS

IR

Vibrations