Geometry & MOs

Info

ID:	226263
PubChem CID:	87350259
Reduced:	BrON3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	716.493348
ΔH_f, kcal/mol:	20.03
Dipole, Da:	5.4
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[3-[(1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]propyl]phenol

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC=C(C=C2)NC(=O)C(C)C3=NC(=CC=C3)Br

DOS

IR

Vibrations