Geometry & MOs

Info

ID:	296103
PubChem CID:	117556721
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-66.7
Dipole, Da:	6.75
IP(EA), eV:	-9.03(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)N(C)CCC(=O)O

DOS

IR

Vibrations