Geometry & MOs

Info

ID:	259391
PubChem CID:	103165035
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	5.54
IP(EA), eV:	-9.54(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)N2CCNCC2C#N

DOS

IR

Vibrations