Geometry & MOs

Info

ID:	212247
PubChem CID:	81059930
Reduced:	SN3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	286.087291
ΔH_f, kcal/mol:	28.9
Dipole, Da:	4.25
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)NC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations