Geometry & MOs

Info

ID:	288368
PubChem CID:	104315792
Reduced:	BrN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	348.09496
ΔH_f, kcal/mol:	50.74
Dipole, Da:	4.43
IP(EA), eV:	-9.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-bromopyridin-2-yl)-4,6-dimethylpyrimidin-5-yl]-N,2-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=NC=C(C=C2)Br)C)CC(C)CN

DOS

IR

Vibrations