Geometry & MOs

Info

ID:	217877
PubChem CID:	85088525
Reduced:	O5C25H28 (1)
Stoich.:	A5B25C28 (1)
Weight, g/mol:	408.193674
ΔH_f, kcal/mol:	-179.53
Dipole, Da:	3.58
IP(EA), eV:	-9.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C)C

DOS

IR

Vibrations