Geometry & MOs

Info

ID:	42955
PubChem CID:	10317391
Reduced:	ON2F3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	376.188589
ΔH_f, kcal/mol:	-147.86
Dipole, Da:	4.96
IP(EA), eV:	-8.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,5R,6S)-5-acetyloxy-6-hydroxy-4,7-dimethyl-7-(phenylmethoxymethyl)-3-bicyclo[4.1.0]heptanyl] acetate

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N(CC2=CC=CC=C2)/N=C/C3=CC(=CC=C3)C(F)(F)F)O

DOS

IR

Vibrations