Geometry & MOs

Info

ID:	265716
PubChem CID:	103541828
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	314.07422
ΔH_f, kcal/mol:	-30.22
Dipole, Da:	3.93
IP(EA), eV:	-8.58(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(3-methoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)N2CCC(C2)OC)NCC

DOS

IR

Vibrations