Geometry & MOs

Info

ID:	315462
PubChem CID:	126626852
Reduced:	FN2O3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	522.224009
ΔH_f, kcal/mol:	-89.69
Dipole, Da:	3.72
IP(EA), eV:	-8.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopropylphenoxy)-4-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]-7-fluoro-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=C3CC[C@H](C3=C(C=C2)F)OC4=CC=C(C=C4)[C@H]5C[C@@H]5COCO)C

DOS

IR

Vibrations