Geometry & MOs

Info

ID:	212535
PubChem CID:	81060876
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-5.32
Dipole, Da:	5.76
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N(CCOC)C(C)C2CC2

DOS

IR

Vibrations