Geometry & MOs

Info

ID:	53237
PubChem CID:	14709840
Reduced:	NO2C30H33 (1)
Stoich.:	AB2C30D33 (1)
Weight, g/mol:	686.783983
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	4.91
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trihexadecylborane

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C#N)OC(=O)C(C)CC

DOS

IR

Vibrations