Geometry & MOs

Info

ID:	341325
PubChem CID:	127264018
Reduced:	ClFNO2H5C7 (1)
Stoich.:	ABCD2E5F7 (1)
Weight, g/mol:	225.97418
ΔH_f, kcal/mol:	-105.45
Dipole, Da:	4.38
IP(EA), eV:	-10.57(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-6-methoxypyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=N1)Cl)C(=O)O)F

DOS

IR

Vibrations