Geometry & MOs

Info

ID:	192880
PubChem CID:	78321844
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	375.180758
ΔH_f, kcal/mol:	56.53
Dipole, Da:	3.87
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=NC=C1)C2=CC3=C(C=C2)NN=C3C4=CC(=NC=N4)N5CCOCC5

DOS

IR

Vibrations