Geometry & MOs

Info

ID:	46063
PubChem CID:	10520994
Reduced:	O5C19H30 (1)
Stoich.:	A5B19C30 (1)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	-250.45
Dipole, Da:	3.83
IP(EA), eV:	-9.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-4-[2-(4-phenylphenyl)ethyl]heptanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C[C@@]12OC=C(C(=O)O2)CCCC3OCCO3)C(C)C

DOS

IR

Vibrations