Geometry & MOs

Info

ID:	126026
PubChem CID:	50948923
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	16.79
Dipole, Da:	5.98
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S,3aS,6aR)-5-methyl-4,6-dioxo-1-[(E)-pent-1-enyl]-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2NCC=C

DOS

IR

Vibrations