Geometry & MOs

Info

ID:	405485
PubChem CID:	135074157
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	397.11012
ΔH_f, kcal/mol:	-101.73
Dipole, Da:	1.59
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[(E)-1-phenylhept-2-enylidene]amino] 2,3,4,5,6-pentafluorobenzoate

Drug info:

PubChemData

Smile

CC1(O[C@H]2/C(=C(\CO)/C#C/C=C/CO)/C3=CCCC[C@]23O1)C

DOS

IR

Vibrations