Geometry & MOs

Info

ID:	364336
PubChem CID:	127315476
Reduced:	SO4N5C14H19 (1)
Stoich.:	AB4C5D14E19 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-79.6
Dipole, Da:	5.8
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylpiperidin-1-yl)-2,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCCN3C2=CC=N3

DOS

IR

Vibrations