Geometry & MOs

Info

ID:	324685
PubChem CID:	126678133
Reduced:	PH3O3C7 (1)
Stoich.:	AB3C3D7 (1)
Weight, g/mol:	590.199428
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	5.75
IP(EA), eV:	-10.46(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-phenoxy-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2,5,7,9,11,13,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CP=CC2=C1C(=O)OC2=O

DOS

IR

Vibrations