Geometry & MOs

Info

ID:	341430
PubChem CID:	127264123
Reduced:	NCl2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	308.995948
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	2.49
IP(EA), eV:	-9.45(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-dichloro-3-oxa-4-azatetracyclo[9.4.0.02,6.07,9]pentadeca-1(15),2(6),4,11,13-pentaene-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=NOC2=C1C3C(C3(Cl)Cl)CC4=CC=CC=C42

DOS

IR

Vibrations