Geometry & MOs

Info

ID:	442550
PubChem CID:	135252838
Reduced:	N3H10C17 (2)
Stoich.:	A3B10C17 (2)
Weight, g/mol:	512.174945
ΔH_f, kcal/mol:	224.35
Dipole, Da:	3.96
IP(EA), eV:	-8.13(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,14-di(quinazolin-6-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=NC5=C(C=C4)C=CN=C5)C=CC6=C3C7=CC=CC=C7N6C8=NC9=C(C=C8)C=CN=C9

DOS

IR

Vibrations