Geometry & MOs

Info

ID:	438826
PubChem CID:	135228583
Reduced:	FSO4N5C25H28 (1)
Stoich.:	ABC4D5E25F28 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-143.17
Dipole, Da:	5.42
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methyliminomethyl)-1,3-dihydroisoindol-1-yl]-1-[4-(pyridin-3-ylmethoxy)cyclohexyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=C(C=CC(=C3)F)OC)C(C)C(=O)NC(C)C)N4C=CC=N4

DOS

IR

Vibrations