Geometry & MOs

Info

ID:	296100
PubChem CID:	117556533
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	322.04292
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	3.62
IP(EA), eV:	-9.05(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=NC=NC(=C2)NCCO

DOS

IR

Vibrations