Geometry & MOs

Info

ID:	127656
PubChem CID:	51010449
Reduced:	O2F3H7C11 (2)
Stoich.:	A2B3C7D11 (2)
Weight, g/mol:	429.230394
ΔH_f, kcal/mol:	-409.5
Dipole, Da:	5.82
IP(EA), eV:	-10.01(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1R,6S,7S)-7-(dimethylamino)-10-oxo-9-phenyl-8-tricyclo[5.2.2.01,6]undec-8-enyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C([C@H]2C3=CC=CC=C3[C@H]1C4=CC(=C(C=C24)C(F)(F)F)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations