Geometry & MOs

Info

ID:	212318
PubChem CID:	81060126
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	22.47
Dipole, Da:	5.17
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2CCCCS2

DOS

IR

Vibrations