Geometry & MOs

Info

ID:	150538
PubChem CID:	53790231
Reduced:	ON3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	418.417466
ΔH_f, kcal/mol:	50.86
Dipole, Da:	4.58
IP(EA), eV:	-8.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,15-dimethylideneheptacosan-14-one

Drug info:

PubChemData

Smile

C1CN([C@@H](CN1CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations