Geometry & MOs

Info

ID:	13686
PubChem CID:	396887
Reduced:	ClO3C13H16 (2)
Stoich.:	AB3C13D16 (2)
Weight, g/mol:	510.157594
ΔH_f, kcal/mol:	-241.51
Dipole, Da:	1.74
IP(EA), eV:	-8.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-5-[1-[3-chloro-5-(hydroxymethyl)-4-methoxyphenyl]-5-(2-ethyl-1,3-dioxolan-2-yl)pent-1-enyl]-2-methoxyphenyl]methanol

Drug info:

PubChemData

Smile

CCC1(OCCO1)CCCC=C(C2=CC(=C(C(=C2)Cl)OC)CO)C3=CC(=C(C(=C3)Cl)OC)CO

DOS

IR

Vibrations