Geometry & MOs

Info

ID:	270336
PubChem CID:	103636105
Reduced:	BrN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	263.072848
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	1.8
IP(EA), eV:	-9.27(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NOCC)Br

DOS

IR

Vibrations