Geometry & MOs

Info

ID:	400884
PubChem CID:	135049336
Reduced:	INO3H26C27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	426.403296
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	4.29
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diheptyl-[(E)-1-phenylnon-1-enoxy]borane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H]2[C@H](C[C@@H](O2)N3C=CC4=C3C=CC(=C4)I)OC5=CC=C(C=C5)C

DOS

IR

Vibrations