Geometry & MOs

Info

ID:	399358
PubChem CID:	135039803
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-1.08
Dipole, Da:	4.07
IP(EA), eV:	-8.66(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1(CCC(=O)N1CC=C)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations