Geometry & MOs

Info

ID:	384453
PubChem CID:	134977017
Reduced:	N2O4H14C21 (1)
Stoich.:	A2B4C14D21 (1)
Weight, g/mol:	530.33961
ΔH_f, kcal/mol:	118.0
Dipole, Da:	4.91
IP(EA), eV:	-9.78(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-benzoyl-1,2,6-tritert-butyl-4-phenyl-3-oxatricyclo[3.1.0.02,6]hexane-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations