Geometry & MOs

Info

ID:	309972
PubChem CID:	126571716
Reduced:	ON2F3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	241.126678
ΔH_f, kcal/mol:	-141.26
Dipole, Da:	2.11
IP(EA), eV:	-8.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-fluoro-3,3-dimethylspiro[2H-naphthalene-4,1'-cyclopropane]-1-ylidene)acetonitrile

Drug info:

PubChemData

Smile

CCCCC#CC1=CNC(C(=C1)OC[C@@H]2CCN2)C(F)(F)F

DOS

IR

Vibrations