Geometry & MOs

Info

ID:	429479
PubChem CID:	135169528
Reduced:	NOC7H11 (1)
Stoich.:	ABC7D11 (1)
Weight, g/mol:	641.221561
ΔH_f, kcal/mol:	1.27
Dipole, Da:	1.34
IP(EA), eV:	-9.34(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-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(=NC=C)OC1CC1

DOS

IR

Vibrations