Geometry & MOs

Info

ID:	392585
PubChem CID:	135017279
Reduced:	FN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-101.5
Dipole, Da:	2.97
IP(EA), eV:	-9.61(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,8S)-17-oxatetracyclo[12.2.1.01,6.08,14]heptadec-15-en-7-one

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]3C=C(CC(=O)N3CC1CN(C2=O)CC4=CC=CC=C4)F

DOS

IR

Vibrations