Geometry & MOs

Info

ID:	400521
PubChem CID:	135048185
Reduced:	BO2N4C25H35 (1)
Stoich.:	AB2C4D25E35 (1)
Weight, g/mol:	395.29956
ΔH_f, kcal/mol:	25.66
Dipole, Da:	6.6
IP(EA), eV:	-10.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexyl-[cyclohexyl-(4-nitrophenyl)methyl]borane

Drug info:

PubChemData

Smile

B(CCCCCC#N)(CCCCCC#N)C(CCCCCC#N)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations