Geometry & MOs

Info

ID:	388122
PubChem CID:	134988242
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-94.89
Dipole, Da:	1.46
IP(EA), eV:	-10.09(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-4-phenylhept-4-enoate

Drug info:

PubChemData

Smile

CCCC#CC(CC)(CC)C(=O)OCC

DOS

IR

Vibrations