Geometry & MOs

Info

ID:	374564
PubChem CID:	131331582
Reduced:	NOF4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	235.96976
ΔH_f, kcal/mol:	-223.04
Dipole, Da:	4.9
IP(EA), eV:	-9.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromobenzotriazol-1-yl)acetonitrile

Drug info:

PubChemData

Smile

C1[C@H](C2=C(CO1)C=CC(=C2C(F)(F)F)F)N

DOS

IR

Vibrations