Geometry & MOs

Info

ID:	230049
PubChem CID:	87569947
Reduced:	O4C61H94 (1)
Stoich.:	A4B61C94 (1)
Weight, g/mol:	360.173687
ΔH_f, kcal/mol:	-202.96
Dipole, Da:	5.86
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-ethyl-3-[3-(4-fluorophenyl)propoxy]-2,4-dimethoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C.CCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C

DOS

IR

Vibrations