Geometry & MOs

Info

ID:	430414
PubChem CID:	135170478
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	-16.98
Dipole, Da:	3.46
IP(EA), eV:	-8.79(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(3-methyl-1,2-oxazol-5-yl)pentanenitrile

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=C(C(=NO1)C)NC

DOS

IR

Vibrations