Geometry & MOs

Info

ID:	160044
PubChem CID:	57304426
Reduced:	BrO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	247.111639
ΔH_f, kcal/mol:	-109.78
Dipole, Da:	5.65
IP(EA), eV:	-10.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1-[2-(aminomethyl)-3-sulfanylpropanoyl]-2-methylpyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCCC2(CC1)CC(C(=O)O2)Br

DOS

IR

Vibrations