Geometry & MOs

Info

ID:	150167
PubChem CID:	53789854
Reduced:	O2N3C35H41 (1)
Stoich.:	A2B3C35D41 (1)
Weight, g/mol:	490.289466
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	3.74
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-decoxyphenyl) 4-(2,3-difluorohexoxy)benzoate

Drug info:

PubChemData

Smile

CCCC(CC(CC1=CC=CC=C1OCC2=CC=CC=C2)N)[C@H]3CN(CCN3)C(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations