Geometry & MOs

Info

ID:	191282
PubChem CID:	78124781
Reduced:	FOH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	540.216141
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	2.66
IP(EA), eV:	-9.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-(3-cyclopenta-1,4-dien-1-ylprop-2-enoyl)phenoxy]methyl]triazol-1-yl]-1-phenyl-4-(2-phenylethenyl)azetidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C(C2=C(C(=CC(=C2)F)F)O)O)C=C1

DOS

IR

Vibrations