Geometry & MOs

Info

ID:	327416
PubChem CID:	126689836
Reduced:	BrN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	282.25588
ΔH_f, kcal/mol:	-186.1
Dipole, Da:	4.35
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-[2,2-dimethyl-3-[(2S)-oxolan-2-yl]propyl]-5-(2,2-dimethylpropyl)oxolane

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2C(=O)N3C[C@@H](C[C@H]3C1=O)O)OC)OCCCBr

DOS

IR

Vibrations