Geometry & MOs

Info

ID:	217040
PubChem CID:	85087151
Reduced:	FON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-30.44
Dipole, Da:	5.23
IP(EA), eV:	-8.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-8-oxo-3-propan-2-yl-1-tricyclo[5.3.0.02,6]decanyl) benzoate

Drug info:

PubChemData

Smile

C1CCC(C(C1)N(CC2=CC=CC=C2)N=CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations