Geometry & MOs

Info

ID:	206585
PubChem CID:	80269073
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-122.06
Dipole, Da:	3.98
IP(EA), eV:	-9.59(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]-(1-ethylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC(=N1)C)C(=O)N(C)C(C)(C)C(=O)O

DOS

IR

Vibrations