Geometry & MOs

Info

ID:	439387
PubChem CID:	135229160
Reduced:	ON4C14H26 (1)
Stoich.:	AB4C14D26 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-49.3
Dipole, Da:	3.47
IP(EA), eV:	-8.4(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[[6-(1-aminopropa-1,2-dienyl)pyridin-2-yl]methoxy]-2-methylpyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC(CC)NC1=NC(=NC=C1CCCOC)N

DOS

IR

Vibrations