Geometry & MOs

Info

ID:	398622
PubChem CID:	135034346
Reduced:	NO11C47H49 (1)
Stoich.:	AB11C47D49 (1)
Weight, g/mol:	200.214016
ΔH_f, kcal/mol:	-340.99
Dipole, Da:	2.61
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentan-3-yloxyoctane

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)O[C@H]2C(C([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations