Geometry & MOs

Info

ID:	45732
PubChem CID:	10517163
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	284.1388
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	6.05
IP(EA), eV:	-8.53(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3R,4S,5Z)-7-methyl-1-phenyl-4-(trifluoromethyl)octa-1,5-dien-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/C(=O)C(=C2N1CCN2)C3=CC=CC=C3

DOS

IR

Vibrations