Geometry & MOs

Info

ID:	197821
PubChem CID:	79003829
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	309.043567
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	3.07
IP(EA), eV:	-9.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-methyl-N-[(6-methylpyridin-2-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN(C)C(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations