Geometry & MOs

Info

ID:	402746
PubChem CID:	135057115
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	195.056325
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	1.59
IP(EA), eV:	-9.37(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloropyrazin-2-yl)-2-methylbutanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)O[C@H](C=C)C1=CC=CC=C1

DOS

IR

Vibrations