Geometry & MOs

Info

ID:	364372
PubChem CID:	127315549
Reduced:	F2O2N3C21H27 (1)
Stoich.:	A2B2C3D21E27 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-141.42
Dipole, Da:	7.0
IP(EA), eV:	-8.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3CC3C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations