Geometry & MOs

Info

ID:	210402
PubChem CID:	80801431
Reduced:	ON7C12H19 (1)
Stoich.:	AB7C12D19 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	27.03
Dipole, Da:	5.46
IP(EA), eV:	-9.17(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propanoate

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OC)NC(C)CN2C=CN=C2

DOS

IR

Vibrations