Geometry & MOs

Info

ID:	304849
PubChem CID:	124766236
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-136.44
Dipole, Da:	3.6
IP(EA), eV:	-9.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aR)-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

CC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C)[C@](N2)(C)C(=O)OC

DOS

IR

Vibrations