Geometry & MOs

Info

ID:	395738
PubChem CID:	135026416
Reduced:	O2H14C19 (1)
Stoich.:	A2B14C19 (1)
Weight, g/mol:	241.18305
ΔH_f, kcal/mol:	38.52
Dipole, Da:	5.68
IP(EA), eV:	-9.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-1-phenylpent-1-yn-3-yl)piperidine

Drug info:

PubChemData

Smile

C1C(C2C3=CC=CC=C3C1O2)C#CC(=O)C4=CC=CC=C4

DOS

IR

Vibrations