Geometry & MOs

Info

ID:	392427
PubChem CID:	135016066
Reduced:	O5C17H24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	158.059246
ΔH_f, kcal/mol:	-223.76
Dipole, Da:	6.49
IP(EA), eV:	-9.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,12-diaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene

Drug info:

PubChemData

Smile

CCOC(=O)C(/C=C/C1=CC(=O)CC(C1)(C)C)C(=O)OCC

DOS

IR

Vibrations