Geometry & MOs

Info

ID:	229895
PubChem CID:	87569460
Reduced:	OSF3N3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-149.04
Dipole, Da:	5.24
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]benzaldehyde

Drug info:

PubChemData

Smile

CC(C)CCC1=CN(C(=C1)C(=O)NC2=NC=CS2)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations