Geometry & MOs

Info

ID:	449840
PubChem CID:	135302049
Reduced:	ClFO3N4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	294.198365
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	8.71
IP(EA), eV:	-8.99(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexylpropan-2-yloxy)-1,2-dihydrocyclobuta[a]naphthalene

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC(=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)/C=C/C(=O)Cl

DOS

IR

Vibrations