Geometry & MOs

Info

ID:	356911
PubChem CID:	127292519
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	17.57
Dipole, Da:	4.17
IP(EA), eV:	-8.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-2-piperidin-1-ylethyl)-N-(1-phenylpyrrolidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)NC4CCN(C4)C5=CC=CC=C5

DOS

IR

Vibrations