Geometry & MOs

Info

ID:	441048
PubChem CID:	135232872
Reduced:	OSN3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	2.58
IP(EA), eV:	-8.84(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethylamino (3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC/C=C(/NC(=O)CC1=CC=CC=N1)\SC(=NC)C2CCCCC2

DOS

IR

Vibrations