Geometry & MOs

Info

ID:	354200
PubChem CID:	127286164
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-76.3
Dipole, Da:	6.48
IP(EA), eV:	-8.92(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(pyrrolidine-1-carbonyl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations