Geometry & MOs

Info

ID:	304850
PubChem CID:	124766237
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-128.48
Dipole, Da:	2.33
IP(EA), eV:	-8.22(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C)C(=O)OC

DOS

IR

Vibrations