Geometry & MOs

Info

ID:	230265
PubChem CID:	87570543
Reduced:	O9C28H28 (1)
Stoich.:	A9B28C28 (1)
Weight, g/mol:	151.099714
ΔH_f, kcal/mol:	-343.11
Dipole, Da:	0.71
IP(EA), eV:	-8.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethynylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1C2CC3(CC1(CC(C2)(C3)C4=CC(=C(C=C4O)O)O)C5=CC(=C(C=C5O)O)O)C6=CC(=C(C=C6O)O)O

DOS

IR

Vibrations