Geometry & MOs

Info

ID:	296132
PubChem CID:	117557356
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	3.17
IP(EA), eV:	-8.95(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2CCCC2)NCCO

DOS

IR

Vibrations