Geometry & MOs

Info

ID:	57561
PubChem CID:	22413691
Reduced:	SN4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	115.97
Dipole, Da:	2.69
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-acetyl-5-(1,3-dioxan-4-yl)-6,6-dimethylpiperidin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C#CCN=CNC1=NC(=CS1)N

DOS

IR

Vibrations