Geometry & MOs

Info

ID:	373550
PubChem CID:	131316888
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	220.009576
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	3.09
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C2=C(C=C1)OCC[C@@H]2N)Br

DOS

IR

Vibrations