Geometry & MOs

Info

ID:	25242
PubChem CID:	621381
Reduced:	O5H12C14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	260.131349
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	6.58
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18,20-diazatetracyclo[14.3.1.04,9.08,13]icosa-1(19),4(9),5,7,10,12,16(20),17-octaene

Drug info:

PubChemData

Smile

COC1=CC2=CC3=C(COC3=O)C=C2C(=C1O)OC

DOS

IR

Vibrations