Geometry & MOs

Info

ID:	34126
PubChem CID:	7889958
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-203.08
Dipole, Da:	3.87
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)OC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations