Geometry & MOs

Info

ID:	259253
PubChem CID:	103162247
Reduced:	O2N3C15H29 (1)
Stoich.:	A2B3C15D29 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	3.54
IP(EA), eV:	-8.77(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)NCCCN2CCNCC2

DOS

IR

Vibrations