Geometry & MOs

Info

ID:	325307
PubChem CID:	126682608
Reduced:	NO2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.110947
ΔH_f, kcal/mol:	-10.82
Dipole, Da:	2.81
IP(EA), eV:	-8.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC

DOS

IR

Vibrations