Geometry & MOs

Info

ID:	439263
PubChem CID:	135229030
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-23.43
Dipole, Da:	1.37
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)N)OCCCC2=CC3=C(CCO3)C=C2

DOS

IR

Vibrations