Geometry & MOs

Info

ID:	265835
PubChem CID:	103552387
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	233.036732
ΔH_f, kcal/mol:	-38.52
Dipole, Da:	2.35
IP(EA), eV:	-9.58(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-diamino-3-chloro-2-fluoroanilino)acetic acid

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)C2CC2)C3CCC(C3)C(=O)O

DOS

IR

Vibrations