Geometry & MOs

Info

ID:	296581
PubChem CID:	117585124
Reduced:	ON5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	336.05857
ΔH_f, kcal/mol:	-18.83
Dipole, Da:	4.45
IP(EA), eV:	-9.0(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[(3-bromophenyl)methylamino]pyrimidin-4-yl]-methylamino]ethanol

Drug info:

PubChemData

Smile

CN1CCC(C1)CNC2=NC=NC(=C2)NCCO

DOS

IR

Vibrations