Geometry & MOs

Info

ID:	288366
PubChem CID:	104315741
Reduced:	BrN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	413.98777
ΔH_f, kcal/mol:	55.93
Dipole, Da:	4.93
IP(EA), eV:	-9.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=NC=C(C=C2)Br)C)CCCN

DOS

IR

Vibrations