Geometry & MOs

Info

ID:	43101
PubChem CID:	10318549
Reduced:	N2Cl3O3H9C17 (1)
Stoich.:	A2B3C3D9E17 (1)
Weight, g/mol:	395.045128
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	3.55
IP(EA), eV:	-9.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-(3-fluorophenyl)-quinolin-8-yloxyborane

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=NO[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations