Geometry & MOs

Info

ID:	126887
PubChem CID:	50983152
Reduced:	ON7C12H17 (1)
Stoich.:	AB7C12D17 (1)
Weight, g/mol:	333.195346
ΔH_f, kcal/mol:	41.48
Dipole, Da:	4.5
IP(EA), eV:	-9.63(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-1-phenylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCN1C=NN=C1CNCC(=O)NC2=NC=CN=C2

DOS

IR

Vibrations