Geometry & MOs

Info

ID:	126391
PubChem CID:	50963209
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-60.52
Dipole, Da:	7.45
IP(EA), eV:	-8.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aS,6aR)-1-(3-ethenylphenyl)-4,6-dioxo-5-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=C(C1=O)OC2=CC=CC=C2)C(C3CC3)C4=C(C=CC=N4)C

DOS

IR

Vibrations