Geometry & MOs

Info

ID:	405048
PubChem CID:	135072268
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	590.39044
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	3.35
IP(EA), eV:	-8.58(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenoxy-4,5,9,10,14,15-hexapropyl-7,12,17,18,19-pentaza-2-azonia-1-boranuidahexacyclo[9.6.1.13,16.02,6.08,18.013,17]nonadeca-2(6),3(19),4,7,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCCC2=CC=CN2

DOS

IR

Vibrations