Geometry & MOs

Info

ID:	351452
PubChem CID:	127280340
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-34.01
Dipole, Da:	6.58
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[3-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations