Geometry & MOs

Info

ID:	233243
PubChem CID:	89449483
Reduced:	FN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	276.103145
ΔH_f, kcal/mol:	36.33
Dipole, Da:	5.64
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-3-sulfinooxy-1-bicyclo[2.2.1]heptanyl)methyl acetate

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1F)C2=NN=C(C=C2)C#C

DOS

IR

Vibrations