Geometry & MOs

Info

ID:	210380
PubChem CID:	80797411
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	66.33
Dipole, Da:	2.0
IP(EA), eV:	-8.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-5-propylpyrimidin-4-yl)-benzylamino]ethanol

Drug info:

PubChemData

Smile

CCNC1=NC2=CC=CC=C2C(=N1)N(C)CC3CC3

DOS

IR

Vibrations