Geometry & MOs

Info

ID:	399835
PubChem CID:	135043061
Reduced:	ClNSeH8C13 (1)
Stoich.:	ABCD8E13 (1)
Weight, g/mol:	540.189675
ΔH_f, kcal/mol:	64.78
Dipole, Da:	2.34
IP(EA), eV:	-9.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-phenoxy-3,23-diphenyl-12,14-dioxa-13-borapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C([Se]2)C=C(C=C3)Cl

DOS

IR

Vibrations