Geometry & MOs

Info

ID:	447332
PubChem CID:	135282078
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-68.87
Dipole, Da:	3.29
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (E)-oct-5-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C2=CC(=C(C=C2)OCC(C)(CC(C)C)NC(=O)O)C#N

DOS

IR

Vibrations