Geometry & MOs

Info

ID:	25056
PubChem CID:	618228
Reduced:	NO3H13C15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	510.179087
ΔH_f, kcal/mol:	-120.95
Dipole, Da:	8.49
IP(EA), eV:	-9.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-oxo-4-(trityloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC2C1OC3=NC(=O)C=CN23)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations