Geometry & MOs

Info

ID:	210719
PubChem CID:	80845658
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	341.03098
ΔH_f, kcal/mol:	40.72
Dipole, Da:	3.65
IP(EA), eV:	-8.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C3=CC=CC(=C3[N+](=O)[O-])N)O

DOS

IR

Vibrations