Geometry & MOs

Info

ID:	430386
PubChem CID:	135170450
Reduced:	ON2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	19.9
Dipole, Da:	4.2
IP(EA), eV:	-10.41(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2-methyl-1-prop-2-enoxypropan-2-yl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(C)(C)CC#N

DOS

IR

Vibrations