Geometry & MOs

Info

ID:	446989
PubChem CID:	135279335
Reduced:	N2O5C34H46 (1)
Stoich.:	A2B5C34D46 (1)
Weight, g/mol:	496.259817
ΔH_f, kcal/mol:	-149.34
Dipole, Da:	4.08
IP(EA), eV:	-7.97(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-[6-[1-(2-fluoroethyl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]morpholin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)CCCOCC3=CC=C(C=C3)OCC4=CC=CC=C4OCCOCCCOC

DOS

IR

Vibrations