Geometry & MOs

Info

ID:	398918
PubChem CID:	135036272
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	30.15
Dipole, Da:	5.29
IP(EA), eV:	-8.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-cyclohexylidene-4-(1H-indol-3-yl)pentan-2-one

Drug info:

PubChemData

Smile

CC(=O)C[C@H](C1=CC2=C(C=C1)C=CN2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations