Geometry & MOs

Info

ID:	296489
PubChem CID:	117578343
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	2.23
IP(EA), eV:	-8.8(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCCNC1=CC(=NC(=N1)C)NC(C)CC(=O)O

DOS

IR

Vibrations