Geometry & MOs

Info

ID:	191731
PubChem CID:	78182560
Reduced:	ON3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	48.84
Dipole, Da:	1.81
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-phenyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-2,4,6-trien-13-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C3=C(C1)C4C(=N3)C=NNC4=O

DOS

IR

Vibrations