Geometry & MOs

Info

ID:	374832
PubChem CID:	131349019
Reduced:	BrN2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	201.019271
ΔH_f, kcal/mol:	52.13
Dipole, Da:	5.21
IP(EA), eV:	-9.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-3-hydroxy-6-methylpyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)N(C)CC#N

DOS

IR

Vibrations