Geometry & MOs

Info

ID:	307488
PubChem CID:	125307134
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	428.247521
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	3.57
IP(EA), eV:	-9.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4S,5S,8S,10R,14R)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-10,14-dimethyl-2,7-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-6-one

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CC2=C3C=CC=CC3=N[C@@H]2CN1

DOS

IR

Vibrations