Geometry & MOs

Info

ID:	449605
PubChem CID:	135300017
Reduced:	ClOSN7H22C27 (1)
Stoich.:	ABCD7E22F27 (1)
Weight, g/mol:	334.230808
ΔH_f, kcal/mol:	182.43
Dipole, Da:	1.34
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluorobutoxy)-4'-methoxy-3,3-dimethylspiro[1H-indene-2,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C(=N)N2C(=N)C)CC3=NN=C(O3)C)C4=CC=C(C=C4)Cl)C#CC5=CC=CC=N5

DOS

IR

Vibrations