Geometry & MOs

Info

ID:	173006
PubChem CID:	75582699
Reduced:	NSO7C22H33 (1)
Stoich.:	ABC7D22E33 (1)
Weight, g/mol:	364.050968
ΔH_f, kcal/mol:	-275.36
Dipole, Da:	3.21
IP(EA), eV:	-8.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5,6,6,7,7,7-nonafluoro-2-methyl-1-phenylhept-1-en-3-one

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1(CSC(=C2C=CC=C(C2=O)OCCOCCOCCOC)N1)C

DOS

IR

Vibrations