Geometry & MOs

Info

ID:	439355
PubChem CID:	135229126
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	346.175339
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	2.51
IP(EA), eV:	-8.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-amino-4-(1-hydroxypentan-2-ylamino)pyrimidin-5-yl]oxymethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)NC1=NC(=NC=C1OCC2=NC=CC3=CC=CCC32)N

DOS

IR

Vibrations