Geometry & MOs

Info

ID:	444554
PubChem CID:	135262844
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	466.269239
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	6.37
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]ethanol

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=C2C=CC(=C3)CC(=O)O

DOS

IR

Vibrations