Geometry & MOs

Info

ID:	190521
PubChem CID:	78015907
Reduced:	FON4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-3.23
Dipole, Da:	2.24
IP(EA), eV:	-9.04(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpyrrolidin-2-yl)methyl 3-methylsulfanylpropanoate

Drug info:

PubChemData

Smile

CC1NNC(=N1)C=C2C3=C(C=CC(=C3)F)NC2=O

DOS

IR

Vibrations