Geometry & MOs

Info

ID:	325801
PubChem CID:	126685032
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	40.61
Dipole, Da:	0.75
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dimethylpyridin-4-yl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=CC(=NC=N2)NCC(C)C3=C(C=C4CNCC4=C3)OC

DOS

IR

Vibrations