Geometry & MOs

Info

ID:	429414
PubChem CID:	135169446
Reduced:	ClN2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	640.226312
ΔH_f, kcal/mol:	84.53
Dipole, Da:	4.93
IP(EA), eV:	-9.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C=CC1=CC2C=CN=C(C2N=C1)Cl

DOS

IR

Vibrations