Geometry & MOs

Info

ID:	427020
PubChem CID:	135155108
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	357.135638
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	4.35
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxy-1-methylindazole

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=C(C=N2)CCN)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations