Geometry & MOs

Info

ID:	46386
PubChem CID:	10524181
Reduced:	N2O3C9H9 (2)
Stoich.:	A2B3C9D9 (2)
Weight, g/mol:	386.136553
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	1.93
IP(EA), eV:	-8.85(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-O-ethyl 13-O,14-O-dimethyl (1S,12S)-15-oxatetracyclo[10.2.1.01,10.02,7]pentadeca-2,4,6,13-tetraene-12,13,14-tricarboxylate

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-])N(C)C

DOS

IR

Vibrations