Geometry & MOs

Info

ID:	212249
PubChem CID:	81059932
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	302.00548
ΔH_f, kcal/mol:	16.89
Dipole, Da:	1.96
IP(EA), eV:	-9.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations