Geometry & MOs

Info

ID:	447023
PubChem CID:	135279606
Reduced:	ClFNH11C13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-11.62
Dipole, Da:	0.48
IP(EA), eV:	-9.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R,6S,8S,11R,12S)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1F)Cl)C2=CC=NC=C2

DOS

IR

Vibrations