Geometry & MOs

Info

ID:	323343
PubChem CID:	126674417
Reduced:	SF5N6H23C25 (1)
Stoich.:	AB5C6D23E25 (1)
Weight, g/mol:	369.210407
ΔH_f, kcal/mol:	-127.97
Dipole, Da:	4.92
IP(EA), eV:	-8.58(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-4-[2,6-dimethyl-4-(oxan-4-ylmethoxy)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2CC3CCC(C2)C3NC4=NN5C=CC=C(C5=N4)C6=CC=C(C=C6)C(C(F)(F)F)(F)F

DOS

IR

Vibrations