Geometry & MOs

Info

ID:	380752
PubChem CID:	134971290
Reduced:	O5C15H28 (2)
Stoich.:	A5B15C28 (2)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-543.56
Dipole, Da:	3.4
IP(EA), eV:	-9.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,4R)-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

C[C@@H](C[C@H]1COC(O1)(C)C)[C@H]([C@@H](C(=O)CC(C)([C@H]([C@@H]([C@@H](C)C[C@H]2COC(O2)(C)C)OC(C)C)O)O)O)OC(C)C

DOS

IR

Vibrations