Geometry & MOs

Info

ID:	149274
PubChem CID:	53788946
Reduced:	NOC23H27 (1)
Stoich.:	ABC23D27 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	13.18
Dipole, Da:	2.84
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxymethoxy]phenyl]ethyldiazene

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OC

DOS

IR

Vibrations