Geometry & MOs

Info

ID:	399321
PubChem CID:	135039626
Reduced:	NF2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-138.95
Dipole, Da:	2.21
IP(EA), eV:	-10.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-5-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopent-2-en-1-ol

Drug info:

PubChemData

Smile

C=CC(C1C2=C(C=CC=N2)C(O1)O)(F)F

DOS

IR

Vibrations