Geometry & MOs

Info

ID:	252386
PubChem CID:	103111026
Reduced:	BrN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	70.66
Dipole, Da:	5.63
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-3-nitrophenyl)methylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=C(C=CC(=C2)Br)C#N

DOS

IR

Vibrations