Geometry & MOs

Info

ID:	371871
PubChem CID:	131276493
Reduced:	NOH4C6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	254.00699
ΔH_f, kcal/mol:	49.47
Dipole, Da:	6.6
IP(EA), eV:	-9.97(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(chloromethyl)-6-(trifluoromethoxy)pyridine-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC(=NO2)C#N)C=O

DOS

IR

Vibrations