Geometry & MOs

Info

ID:	288353
PubChem CID:	104315322
Reduced:	Br2O2N3H9C13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	320.06366
ΔH_f, kcal/mol:	15.64
Dipole, Da:	3.63
IP(EA), eV:	-9.39(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopyridin-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NC=C2C(=O)O)C3=C(C=C(C=N3)Br)Br

DOS

IR

Vibrations