Geometry & MOs

Info

ID:	282131
PubChem CID:	103916600
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	318.03678
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	3.7
IP(EA), eV:	-9.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-methyl-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)ONC(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations