Geometry & MOs

Info

ID:	210604
PubChem CID:	80829493
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-22.91
Dipole, Da:	7.75
IP(EA), eV:	-8.76(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-diaminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)NCC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations