Geometry & MOs

Info

ID:	296583
PubChem CID:	117585217
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	336.05857
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	3.21
IP(EA), eV:	-8.9(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[(2-bromophenyl)methylamino]pyrimidin-4-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CN(CCO)C1=NC=NC(=C1)NCC2CCCC2

DOS

IR

Vibrations