Geometry & MOs

Info

ID:	288361
PubChem CID:	104315630
Reduced:	BrN4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	320.06366
ΔH_f, kcal/mol:	68.57
Dipole, Da:	1.27
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(5-bromopyridin-2-yl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=C(C=CC=N2)Br)CN

DOS

IR

Vibrations