Geometry & MOs

Info

ID:	304885
PubChem CID:	124766274
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-148.4
Dipole, Da:	2.12
IP(EA), eV:	-8.19(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations