Geometry & MOs

Info

ID:	296135
PubChem CID:	117557483
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-81.65
Dipole, Da:	6.32
IP(EA), eV:	-8.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)CCC(=O)O)NC(C)C

DOS

IR

Vibrations