Geometry & MOs

Info

ID:	222199
PubChem CID:	85295157
Reduced:	O4C11H18 (1)
Stoich.:	A4B11C18 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	-170.25
Dipole, Da:	1.69
IP(EA), eV:	-10.15(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,10,13-tetrazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-triene

Drug info:

PubChemData

Smile

COC(=O)C1C(CCC1(OC)OC)C=C

DOS

IR

Vibrations