Geometry & MOs

Info

ID:	365882
PubChem CID:	127319133
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	17.47
Dipole, Da:	9.08
IP(EA), eV:	-8.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4

DOS

IR

Vibrations