Geometry & MOs

Info

ID:	439287
PubChem CID:	135229055
Reduced:	O2N6C15H24 (1)
Stoich.:	A2B6C15D24 (1)
Weight, g/mol:	349.175004
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	5.03
IP(EA), eV:	-8.45(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[(3,4-dimethoxypyridin-2-yl)methoxy]-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CCCC(CO)NC1=NC(=NC=C1OCC2=NN(C(=C2)C)C)N

DOS

IR

Vibrations