Geometry & MOs

Info

ID:	402571
PubChem CID:	135056457
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	270.00333
ΔH_f, kcal/mol:	-49.61
Dipole, Da:	2.67
IP(EA), eV:	-8.95(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@H](O1)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations