Geometry & MOs

Info

ID:	362552
PubChem CID:	127308207
Reduced:	SO2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	-0.12
Dipole, Da:	2.03
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC(=O)N2CCOC(C2)C3=NC=CS3

DOS

IR

Vibrations