Geometry & MOs

Info

ID:	434372
PubChem CID:	135174805
Reduced:	NO4C25H39 (1)
Stoich.:	AB4C25D39 (1)
Weight, g/mol:	415.272259
ΔH_f, kcal/mol:	-150.1
Dipole, Da:	3.82
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxy-2-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]ethynyl]pyridine

Drug info:

PubChemData

Smile

CCC(C)(C)OC1CC(C1)OC2=CN=C(C=C2)C#CC(C)(C)OCCOC(C)(C)C

DOS

IR

Vibrations