Geometry & MOs

Info

ID:	48414
PubChem CID:	10545513
Reduced:	O2N4C13H15 (1)
Stoich.:	A2B4C13D15 (1)
Weight, g/mol:	346.080377
ΔH_f, kcal/mol:	25.31
Dipole, Da:	2.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796070
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-methoxyphenyl)-2-methylhex-1-en-3-ol

Drug info:

PubChemData

Smile

CC(=O)CC1=NN(N=[N+]1CC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations