Geometry & MOs

Info

ID:	388048
PubChem CID:	134987962
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-148.28
Dipole, Da:	2.74
IP(EA), eV:	-9.97(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-pentan-2-ylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1C2CCC(C1O)C=C2

DOS

IR

Vibrations