Geometry & MOs

Info

ID:	210690
PubChem CID:	80840564
Reduced:	NC2H3 (7)
Stoich.:	AB2C3 (7)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	69.01
Dipole, Da:	4.14
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=NC(=NC(=N2)N)N3CCCC3)C

DOS

IR

Vibrations