Geometry & MOs

Info

ID:	192878
PubChem CID:	78321842
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	4.41
IP(EA), eV:	-8.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[6-[5-[(2S)-1-methoxypropan-2-yl]oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine

Drug info:

PubChemData

Smile

C[C@@H](COC)OC1=CC2=C(C=C1)NN=C2C3=CC(=NC=N3)N4CCC5(CCNC5=O)CC4

DOS

IR

Vibrations