Geometry & MOs

Info

ID:	37294
PubChem CID:	8019221
Reduced:	O2C5H6 (4)
Stoich.:	A2B5C6 (4)
Weight, g/mol:	378.147867
ΔH_f, kcal/mol:	-291.49
Dipole, Da:	2.28
IP(EA), eV:	-8.44(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC

DOS

IR

Vibrations