Geometry & MOs

Info

ID:	222469
PubChem CID:	85300831
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	336.187801
ΔH_f, kcal/mol:	31.44
Dipole, Da:	3.61
IP(EA), eV:	-8.25(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-diphenyltetracyclo[6.5.1.02,7.09,13]tetradeca-3,5,10-triene

Drug info:

PubChemData

Smile

CC(=O)NCCC1=C2C=C(C=CC2=NC1=NNC3=CC=CC=C3)OC

DOS

IR

Vibrations