Geometry & MOs

Info

ID:	224810
PubChem CID:	85382679
Reduced:	OCl4H8C13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	414.204239
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	4.69
IP(EA), eV:	-9.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-3-(phenylmethoxymethyl)cyclopentyl] acetate

Drug info:

PubChemData

Smile

CC1=CC2C(=O)CC1C3=C2C(=C(C(=C3Cl)Cl)Cl)Cl

DOS

IR

Vibrations