Geometry & MOs

Info

ID:	296582
PubChem CID:	117585215
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	15.53
Dipole, Da:	2.19
IP(EA), eV:	-9.03(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCO)C1=NC=NC(=C1)NCC2=CC(=CC=C2)Br

DOS

IR

Vibrations