Geometry & MOs

Info

ID:	227870
PubChem CID:	87562778
Reduced:	BrN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	244.036318
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	0.69
IP(EA), eV:	-9.52(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-chloro-5-[(E)-N'-hydroxycarbamimidoyl]pyridin-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NC(=C1O)Br)C2=CN=CC=C2

DOS

IR

Vibrations