Geometry & MOs

Info

ID:	354248
PubChem CID:	127286212
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-121.78
Dipole, Da:	6.75
IP(EA), eV:	-8.5(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyanophenoxy)-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=CC=C3OCC4CCCCO4

DOS

IR

Vibrations