Geometry & MOs

Info

ID:	84986
PubChem CID:	49871195
Reduced:	ClO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	420.206737
ΔH_f, kcal/mol:	-199.32
Dipole, Da:	2.22
IP(EA), eV:	-8.71(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-chloro-4-propan-2-yloxyphenyl)ethyl]-6-cyclopentyl-3-propyloxane-2,4-dione

Drug info:

PubChemData

Smile

CCC1C(=O)CC(OC1=O)(CCC2=CC(=C(C=C2)OC(C)C)Cl)C3CCCC3

DOS

IR

Vibrations