Geometry & MOs

Info

ID:	192874
PubChem CID:	78321837
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	20.13
Dipole, Da:	6.26
IP(EA), eV:	-8.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)NN=C2C3=CC(=NC=N3)N4CCS(=O)CC4

DOS

IR

Vibrations