Geometry & MOs

Info

ID:	25055
PubChem CID:	618221
Reduced:	OC30H32 (1)
Stoich.:	AB30C32 (1)
Weight, g/mol:	408.245316
ΔH_f, kcal/mol:	56.37
Dipole, Da:	3.13
IP(EA), eV:	-9.24(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1,1,1-triphenylundec-5-yn-2-one

Drug info:

PubChemData

Smile

CCCCCC#CC(C)CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations