Geometry & MOs

Info

ID:	188442
PubChem CID:	77719005
Reduced:	NSO6C25H29 (1)
Stoich.:	ABC6D25E29 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-233.83
Dipole, Da:	7.72
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,2-bis(phenylmethoxy)ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC2(CC(C(C2)NC(=O)C3=CC=C(C=C3)C4CCS(C5=CC=CC=C45)(O)O)C(=O)O)OC1

DOS

IR

Vibrations