Geometry & MOs

Info

ID:	296098
PubChem CID:	117556470
Reduced:	O2N5C12H13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	5.84
IP(EA), eV:	-9.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=CC=C1CNC2=CC(=NC=N2)NCC(=O)O

DOS

IR

Vibrations