Geometry & MOs

Info

ID:	227752
PubChem CID:	87562389
Reduced:	BrO2N3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	-60.55
Dipole, Da:	2.88
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(Z)-[amino-(6-methylpyridin-2-yl)methylidene]amino]carbamoyl]azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC(=NC(=N1)NC)Br

DOS

IR

Vibrations