Geometry & MOs

Info

ID:	373669
PubChem CID:	131318519
Reduced:	INO3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	280.94116
ΔH_f, kcal/mol:	-85.16
Dipole, Da:	6.03
IP(EA), eV:	-8.95(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-bromo-5-(trifluoromethoxy)pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(=O)O)I)N)O

DOS

IR

Vibrations