Geometry & MOs

Info

ID:	217742
PubChem CID:	85088303
Reduced:	N2O7H14C20 (1)
Stoich.:	A2B7C14D20 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	5.94
IP(EA), eV:	-8.78(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=NC3=CC(=C(C=C3C4=CC(=O)C(=CC42)O)O)O)[N+](=O)[O-]

DOS

IR

Vibrations