Geometry & MOs

Info

ID:	222243
PubChem CID:	85295562
Reduced:	BNSO2F4C7H12 (1)
Stoich.:	ABCD2E4F7G12 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-419.25
Dipole, Da:	11.92
IP(EA), eV:	-10.24(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylphenyl)-5-(methoxymethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCOC(=O)C1CSC[N+]1=C

DOS

IR

Vibrations