Geometry & MOs

Info

ID:	439357
PubChem CID:	135229128
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	16.24
Dipole, Da:	6.03
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-amino-5-(2-pyridin-2-ylethyl)pyrimidin-4-yl]amino]heptan-1-ol

Drug info:

PubChemData

Smile

CCC[C@@H](CO)NC1=NC(=NC=C1CCC2=NN=CC=C2)N

DOS

IR

Vibrations