Geometry & MOs

Info

ID:	199936
PubChem CID:	79319192
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	3.94
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butan-2-one

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)CC2=C(C=CC(=C2)C=O)OC

DOS

IR

Vibrations