Geometry & MOs

Info

ID:	433323
PubChem CID:	135173460
Reduced:	O5N8H36C41 (1)
Stoich.:	A5B8C36D41 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-2.12
Dipole, Da:	6.94
IP(EA), eV:	-8.51(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-ethoxy-1-methylpyrrolidin-2-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)N6C=C(C(=N6)C7=CC=NC=C7)C8=CC9=C(C=C8)/C(=N/O)/CC9

DOS

IR

Vibrations