Geometry & MOs

Info

ID:	308235
PubChem CID:	125324331
Reduced:	ClOF3N4H12C18 (1)
Stoich.:	ABC3D4E12F18 (1)
Weight, g/mol:	351.168188
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	4.3
IP(EA), eV:	-9.56(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-4-(3-acetyl-2-hydroxy-4,6-dimethoxyphenyl)-1-methylpiperidin-3-yl] acetate

Drug info:

PubChemData

Smile

C1C(=NN=C1C2=CC=C(C=C2)Cl)[C@H]3N=C(NO3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations