Geometry & MOs

Info

ID:	337918
PubChem CID:	127258541
Reduced:	OC2H4 (4)
Stoich.:	AB2C4 (4)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-208.88
Dipole, Da:	2.11
IP(EA), eV:	-10.36(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-4-[(E)-prop-1-enyl]phenyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)(CO)O

DOS

IR

Vibrations