Geometry & MOs

Info

ID:	323584
PubChem CID:	126675522
Reduced:	N4O10C21H42 (1)
Stoich.:	A4B10C21D42 (1)
Weight, g/mol:	232.182715
ΔH_f, kcal/mol:	-468.14
Dipole, Da:	4.29
IP(EA), eV:	-9.12(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopentyloxymethyl)-1,2-diethylbenzene

Drug info:

PubChemData

Smile

CCCN[C@@H]1CC([C@H](C([C@@H]1O)O[C@H]2[C@H](C([C@H](O2)CN)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)[C@@H](C)O)O)O)N)N

DOS

IR

Vibrations