Geometry & MOs

Info

ID:	429406
PubChem CID:	135169435
Reduced:	N2F7C9H11 (1)
Stoich.:	A2B7C9D11 (1)
Weight, g/mol:	641.221561
ΔH_f, kcal/mol:	-347.24
Dipole, Da:	3.02
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)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

C1CCN(CC1)/C(=C\F)/N(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations