Geometry & MOs

Info

ID:	372210
PubChem CID:	131294386
Reduced:	N2O2F3H7C9 (1)
Stoich.:	A2B2C3D7E9 (1)
Weight, g/mol:	232.045962
ΔH_f, kcal/mol:	-147.14
Dipole, Da:	5.64
IP(EA), eV:	-8.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4,5-dihydroxy-2-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(OC(=C1)N)CC2=CON=C2C(F)(F)F

DOS

IR

Vibrations