Geometry & MOs

Info

ID:	23569
PubChem CID:	604702
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	5.18
IP(EA), eV:	-9.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)-pyridin-4-ylmethyl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1NC(C(=O)N1C)C(C2=CC=NC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations