Geometry & MOs

Info

ID:	354260
PubChem CID:	127286224
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	7.05
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations