Geometry & MOs

Info

ID:	374555
PubChem CID:	131331488
Reduced:	BrOSF3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	188.081044
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	2.79
IP(EA), eV:	-9.36(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(tetrazolo[1,5-a]pyridin-8-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1C(F)(F)F)C=C(S2)CO)Br

DOS

IR

Vibrations