Geometry & MOs

Info

ID:	323349
PubChem CID:	126674445
Reduced:	NSF2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-163.05
Dipole, Da:	4.38
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-4-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

C1CC(C2C(C1)OS(=O)O2)N(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations