Geometry & MOs

Info

ID:	396369
PubChem CID:	135028221
Reduced:	NF3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	4.42
IP(EA), eV:	-9.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4S,7R,8S)-1,7-dimethyl-4-propan-2-yl-11-oxatricyclo[6.2.1.02,7]undecan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CC2=NC3=C(C=C2)C=C(C=C3)C(F)(F)F

DOS

IR

Vibrations