Geometry & MOs

Info

ID:	354301
PubChem CID:	127286265
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-153.98
Dipole, Da:	8.53
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC(C3CCCCC3)O

DOS

IR

Vibrations