Geometry & MOs

Info

ID:	362498
PubChem CID:	127308037
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	2.99
IP(EA), eV:	-9.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-pyridin-2-ylpiperazin-1-yl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)C(C)N2CCCC(C2)C(=O)N3CCCC3

DOS

IR

Vibrations