Geometry & MOs

Info

ID:	332418
PubChem CID:	127250704
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-0.68
Dipole, Da:	3.82
IP(EA), eV:	-8.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-6-fluoroindol-3-yl)methyl]-2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=CC(=C2)CN3CCOC(C3)C4=CC=CC(=N4)C5=CN(N=C5)C)C

DOS

IR

Vibrations