Geometry & MOs

Info

ID:	205357
PubChem CID:	80091683
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	2.42
Dipole, Da:	0.64
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylpyridin-3-yl)-5-hydroxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)NC(=O)C2=CC(=CN2C)Br)C

DOS

IR

Vibrations