Geometry & MOs

Info

ID:	340652
PubChem CID:	127262663
Reduced:	ClON2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	650.250355
ΔH_f, kcal/mol:	-65.47
Dipole, Da:	6.99
IP(EA), eV:	-9.32(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(21-diphenylphosphanyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(17),2(7),3,5,18,20-hexaen-3-yl)-diphenylphosphane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)[C@@H](CC(C)C)CO)C.[Cl-]

DOS

IR

Vibrations