Geometry & MOs

Info

ID:	210764
PubChem CID:	80852753
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-49.18
Dipole, Da:	4.1
IP(EA), eV:	-8.6(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NC(C)CCCO)NCC

DOS

IR

Vibrations