Geometry & MOs

Info

ID:	217951
PubChem CID:	85088636
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	414.16198
ΔH_f, kcal/mol:	-20.15
Dipole, Da:	3.98
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18,19-diphenyl-9,20-dioxahexacyclo[15.2.1.02,7.08,19.010,18.011,16]icosa-2,4,6,11,13,15-hexaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CC(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3

DOS

IR

Vibrations