Geometry & MOs

Info

ID:	443857
PubChem CID:	135260173
Reduced:	BrCl2N4O5H17C22 (1)
Stoich.:	AB2C4D5E17F22 (1)
Weight, g/mol:	266.260966
ΔH_f, kcal/mol:	-120.45
Dipole, Da:	6.67
IP(EA), eV:	-9.46(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,6R,10R)-6,10,14-trimethylpentadec-3-en-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC2=C(C1=O)N=C(C=C2)Br.CCOC(=O)C1=CN=C2C=CC(=NC2=C1Cl)Cl

DOS

IR

Vibrations