Geometry & MOs

Info

ID:	192879
PubChem CID:	78321843
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	-37.28
Dipole, Da:	3.37
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[5-(4-methoxypyridin-3-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)C2=NC=NC(=C2)C3=NNC4=C3C=C(C=C4)O[C@@H](C)COC

DOS

IR

Vibrations