Geometry & MOs

Info

ID:	216345
PubChem CID:	85086078
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	3.06
IP(EA), eV:	-9.06(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-prop-2-enylcyclohexa-2,4-dien-1-yl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C3C4CCC(C4)C3CC2

DOS

IR

Vibrations