Geometry & MOs

Info

ID:	163155
PubChem CID:	57646622
Reduced:	ClFO3N6H14C19 (1)
Stoich.:	ABC3D6E14F19 (1)
Weight, g/mol:	394.118967
ΔH_f, kcal/mol:	3.7
Dipole, Da:	5.61
IP(EA), eV:	-9.34(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[3-[(4-fluorophenyl)methyl]-4-methoxyphenyl]methylidene]-1-(2H-tetrazol-5-yl)pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=NNN=N3)CC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations