Geometry & MOs

Info

ID:	137205
PubChem CID:	52169557
Reduced:	OSN7C18H19 (1)
Stoich.:	ABC7D18E19 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	109.48
Dipole, Da:	5.37
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4-ethoxyphenyl)methylazaniumyl]propanoate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1N=C(N=C2SC3=NN=C4N3CCCCC4)C5=CC=CO5)C

DOS

IR

Vibrations