Geometry & MOs

Info

ID:	405330
PubChem CID:	135073489
Reduced:	ON4H8C12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	298.19328
ΔH_f, kcal/mol:	68.0
Dipole, Da:	3.4
IP(EA), eV:	-10.26(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenyl-2-[3-[(E)-3-phenylprop-2-enoxy]prop-1-en-2-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC=NC=C2C#N

DOS

IR

Vibrations