Geometry & MOs

Info

ID:	329307
PubChem CID:	126734470
Reduced:	N7H35C61 (1)
Stoich.:	A7B35C61 (1)
Weight, g/mol:	141.115364
ΔH_f, kcal/mol:	378.29
Dipole, Da:	4.76
IP(EA), eV:	-8.08(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-1,5,6-trimethylpiperidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC(=C(C=C9)C1=NC(=NC(=C1)C1=CC=CC(=C1)C#N)C1=CC=CC(=C1)C#N)C#N

DOS

IR

Vibrations