Geometry & MOs

Info

ID:	263333
PubChem CID:	103357965
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	19.11
Dipole, Da:	3.89
IP(EA), eV:	-8.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CCN(C1)CC2=CC(=CS2)C#CCN)O

DOS

IR

Vibrations