Geometry & MOs

Info

ID:	423815
PubChem CID:	135120343
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-64.13
Dipole, Da:	1.61
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-oxobutyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations