Geometry & MOs

Info

ID:	210508
PubChem CID:	80816627
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	288.02219
ΔH_f, kcal/mol:	31.69
Dipole, Da:	1.69
IP(EA), eV:	-8.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-amino-5-bromopyrimidin-4-yl)amino]propanoate

Drug info:

PubChemData

Smile

CNC1=CN=CC(=N1)N(C)C2=CC(=CC=C2)OC

DOS

IR

Vibrations