Geometry & MOs

Info

ID:	360554
PubChem CID:	127301199
Reduced:	ON5C21H37 (1)
Stoich.:	AB5C21D37 (1)
Weight, g/mol:	379.294725
ΔH_f, kcal/mol:	-49.6
Dipole, Da:	5.31
IP(EA), eV:	-8.48(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCCC1)C#N)N2CCN(CC2)CC3CCCCN3C

DOS

IR

Vibrations