Geometry & MOs

Info

ID:

190161

PubChem CID:

77959950

Reduced:

BNO3C26H29 (1)

Stoich.:

ABC3D26E29 (1)

Weight, g/mol:

532.229528

ΔHf, kcal/mol:

-27.56

Dipole, Da:

2.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758232

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B](C)C1=CC(=C(C=C1)OC2=CC=CC(=C2)CC(=O)OC)CNC(C)CC3=CC=CC=C3

DOS

IR

Vibrations