Geometry & MOs

Info

ID:	430385
PubChem CID:	135170449
Reduced:	SN2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	164.094963
ΔH_f, kcal/mol:	42.1
Dipole, Da:	2.22
IP(EA), eV:	-9.46(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CC1)C2=NC(=NS2)C

DOS

IR

Vibrations