Geometry & MOs

Info

ID:	296136
PubChem CID:	117557488
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	6.51
IP(EA), eV:	-8.94(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)NC1=CC(=NC(=N1)C)N(C)CCC(=O)O

DOS

IR

Vibrations