Geometry & MOs

Info

ID:	366968
PubChem CID:	127322088
Reduced:	OSN5C18H31 (1)
Stoich.:	ABC5D18E31 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-38.15
Dipole, Da:	2.23
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CCN(CC2)CC(=O)NC3CCN(CC3)C(C)C

DOS

IR

Vibrations