Geometry & MOs

Info

ID:	288362
PubChem CID:	104315639
Reduced:	BrN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	334.07931
ΔH_f, kcal/mol:	64.0
Dipole, Da:	2.6
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC1=NC(=NC(=C1)C)C2=NC=C(C=C2)Br

DOS

IR

Vibrations