Geometry & MOs

Info

ID:	409784
PubChem CID:	135082569
Reduced:	BClO3C25H38 (1)
Stoich.:	ABC3D25E38 (1)
Weight, g/mol:	207.21583
ΔH_f, kcal/mol:	-236.76
Dipole, Da:	4.7
IP(EA), eV:	-9.12(0.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H]([C@H](CC)OCC4=CC=CC=C4)Cl

DOS

IR

Vibrations