Geometry & MOs

Info

ID:	321780
PubChem CID:	126666973
Reduced:	F2N2O2C17H22 (1)
Stoich.:	A2B2C2D17E22 (1)
Weight, g/mol:	156.078644
ΔH_f, kcal/mol:	-165.66
Dipole, Da:	3.75
IP(EA), eV:	-9.29(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,4R)-3-ethenyl-4-hydroxycyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(=CC=C1F)F)[C@H]2C[C@@H](CN2C(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations