Geometry & MOs

Info

ID:	362564
PubChem CID:	127308276
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-74.97
Dipole, Da:	8.85
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-methylphenoxy)pyridin-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)NC(=O)N3CCC(CC3)N4C=CN=C4

DOS

IR

Vibrations