Geometry & MOs

Info

ID:	179125
PubChem CID:	76439334
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	4.04
IP(EA), eV:	-9.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

CCCN1C2CCN(CC2CCC1=O)C(=O)C3=CC4=C(C=C3)SC=N4

DOS

IR

Vibrations