Geometry & MOs

Info

ID:	409876
PubChem CID:	135082663
Reduced:	AuPF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	14.43
IP(EA), eV:	-9.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzotriazol-2-ylmethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CP(C)C1=CC=CC=C1.[C-]#CC(F)(F)F.[Au+]

DOS

IR

Vibrations