Geometry & MOs

Info

ID:	303812
PubChem CID:	124490208
Reduced:	F4H8C9 (1)
Stoich.:	A4B8C9 (1)
Weight, g/mol:	240.070578
ΔH_f, kcal/mol:	-113.31
Dipole, Da:	3.73
IP(EA), eV:	-10.31(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S,16S)-16-chlorotetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(C3(F)F)(F)F

DOS

IR

Vibrations