Geometry & MOs

Info

ID:	49083
PubChem CID:	11528692
Reduced:	NSH11C14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	78.4
Dipole, Da:	5.12
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-2-hydroxy-4-methyl-1-piperidin-1-ylpentan-1-one

Drug info:

PubChemData

Smile

CSC1=C(C=CC(=C1)C2=CC=CC=C2)C#N

DOS

IR

Vibrations