Geometry & MOs

Info

ID:	349077
PubChem CID:	127274803
Reduced:	ClO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-82.35
Dipole, Da:	2.46
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)CNC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations