Geometry & MOs

Info

ID:	304848
PubChem CID:	124766235
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-155.71
Dipole, Da:	2.56
IP(EA), eV:	-9.3(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aR)-3,5-dimethyl-1-(2-methylphenyl)-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