Geometry & MOs

Info

ID:	212291
PubChem CID:	81060037
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	4.58
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yloxy-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CC(=C(C=C2)OC)C

DOS

IR

Vibrations