Geometry & MOs

Info

ID:	359788
PubChem CID:	127299832
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	393.229538
ΔH_f, kcal/mol:	-3.74
Dipole, Da:	6.16
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[2-(4-ethylpiperazin-1-yl)propylamino]pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC=NC=C2)N3CCCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations