Geometry & MOs

Info

ID:	401367
PubChem CID:	135051065
Reduced:	NOPCl3H15C21 (1)
Stoich.:	ABCD3E15F21 (1)
Weight, g/mol:	308.254955
ΔH_f, kcal/mol:	20.15
Dipole, Da:	3.49
IP(EA), eV:	-9.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(9-butan-2-yl-9-boranuidabicyclo[3.3.1]nonan-9-yl)-1-methylindole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N/C(=C(Cl)Cl)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)/Cl

DOS

IR

Vibrations