Geometry & MOs

Info

ID:	387803
PubChem CID:	134986995
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	33.99
Dipole, Da:	1.82
IP(EA), eV:	-8.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yloxy-5,6-dimethylpyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C/C(=C\C2=CC=CS2)/OC3=CC=CC=C31

DOS

IR

Vibrations