Geometry & MOs

Info

ID:	441396
PubChem CID:	135234480
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	334.112443
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	1.57
IP(EA), eV:	-8.65(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)-2-methylphenyl]-3-methylidene-5-prop-2-ynylcyclopentan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)OCC(C)(C)N1CCOCC1

DOS

IR

Vibrations