Geometry & MOs

Info

ID:	397570
PubChem CID:	135030406
Reduced:	ClNO2C22H24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	313.204179
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	4.91
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-cyclohexyl-4-oxobutyl)-1,3-dimethylindol-2-one

Drug info:

PubChemData

Smile

C[C@]1(C2=C(C(=CC=C2)Cl)N(C1=O)C)CCCC(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations