Geometry & MOs

Info

ID:	412250
PubChem CID:	135085134
Reduced:	BON3F4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	644.10904
ΔH_f, kcal/mol:	-272.74
Dipole, Da:	27.6
IP(EA), eV:	-9.46(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1([C@@H]([N+]2=CN(N=C2O1)C3=CC=CC=C3)CC4=CC=CC=C4)C

DOS

IR

Vibrations