Geometry & MOs

Info

ID:	210312
PubChem CID:	80787614
Reduced:	ON6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	312.198383
ΔH_f, kcal/mol:	-2.42
Dipole, Da:	2.96
IP(EA), eV:	-9.29(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)N(CCC#N)C(C)C)NCC

DOS

IR

Vibrations