Geometry & MOs

Info

ID:	272753
PubChem CID:	103755500
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	319.03202
ΔH_f, kcal/mol:	-84.14
Dipole, Da:	5.08
IP(EA), eV:	-10.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-methyl-N-[(6-methylpyridin-2-yl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=CC(=NC=C2)Br)O

DOS

IR

Vibrations