Geometry & MOs

Info

ID:	43079
PubChem CID:	10318359
Reduced:	O4C25H28 (1)
Stoich.:	A4B25C28 (1)
Weight, g/mol:	392.198759
ΔH_f, kcal/mol:	-139.07
Dipole, Da:	3.83
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3aS,5R,6S,6aS)-5,6-bis(phenylmethoxy)-1,3a,4,5,6,6a-hexahydropentalen-1-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)CC/C(=C\C3=CC=C(C=C3)C(=O)OC)/C2=O)OC(C)C

DOS

IR

Vibrations