Geometry & MOs

Info

ID:	400503
PubChem CID:	135048135
Reduced:	BClNSO2C28H28 (1)
Stoich.:	ABCDE2F28G28 (1)
Weight, g/mol:	232.236231
ΔH_f, kcal/mol:	7.89
Dipole, Da:	6.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125914
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-(2,3-dimethylbutyl)-4-methyl-2,5-dihydroborole

Drug info:

PubChemData

Smile

[B-](CC1=CC=CC=C1)(CC2=CC=CC=C2)(CC3=CC=CC=C3)N(S(=O)(=O)C4=CC=C(C=C4)C)Cl

DOS

IR

Vibrations