Geometry & MOs

Info

ID:	429420
PubChem CID:	135169468
Reduced:	BrIOSN3H7C9 (1)
Stoich.:	ABCDE3F7G9 (1)
Weight, g/mol:	717.252861
ΔH_f, kcal/mol:	26.14
Dipole, Da:	4.28
IP(EA), eV:	-9.02(-2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,5(9),6,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(N=C1)N(C=C2Br)SI

DOS

IR

Vibrations