Geometry & MOs

Info

ID:	234493
PubChem CID:	92298550
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	580.424008
ΔH_f, kcal/mol:	-93.11
Dipole, Da:	2.38
IP(EA), eV:	-9.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7S)-2,7-bis[(dimethylamino)methyl]-1,8-bis(4-pentoxyphenyl)octane-1,8-dione

Drug info:

PubChemData

Smile

C1CN([C@@H]1C(=O)O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations