Geometry & MOs

Info

ID:	52392
PubChem CID:	12015243
Reduced:	ClNO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-181.67
Dipole, Da:	1.99
IP(EA), eV:	-9.32(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-trien-6-yne-2,11-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2C(=C1)C(OC3=C2C=C(C=C3)Cl)C(C(=O)C)C(=O)C)C

DOS

IR

Vibrations