Geometry & MOs

Info

ID:	296477
PubChem CID:	117577103
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	2.48
IP(EA), eV:	-8.82(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC=NC(=C1)N2CCCC2CC(=O)O

DOS

IR

Vibrations