Geometry & MOs

Info

ID:	384655
PubChem CID:	134977409
Reduced:	NOCl3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	15.56
Dipole, Da:	4.6
IP(EA), eV:	-9.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-methylidene-5-propan-2-yl-4,5,6,7-tetrahydroinden-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC=C=CCOC(=N)C(Cl)(Cl)Cl

DOS

IR

Vibrations