Geometry & MOs

Info

ID:	374017
PubChem CID:	131322368
Reduced:	BO3N4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	233.041211
ΔH_f, kcal/mol:	-171.72
Dipole, Da:	4.51
IP(EA), eV:	-9.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)NC(=O)N

DOS

IR

Vibrations