Geometry & MOs

Info

ID:	296457
PubChem CID:	117575834
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	-100.88
Dipole, Da:	8.04
IP(EA), eV:	-9.08(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(CNC1=NC=NC(=C1)NCCOC)C(=O)O

DOS

IR

Vibrations