Geometry & MOs

Info

ID:	348443
PubChem CID:	127273544
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-100.06
Dipole, Da:	6.7
IP(EA), eV:	-8.99(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)[C@H]3COCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations