Geometry & MOs

Info

ID:	304937
PubChem CID:	124766331
Reduced:	N7C22H27 (1)
Stoich.:	A7B22C27 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	132.56
Dipole, Da:	6.65
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aR)-1-(2-methoxyphenyl)-5-methyl-4,6-dioxo-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2CN(CCN2C1)[C@H](C3=CN=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

DOS

IR

Vibrations