Geometry & MOs

Info

ID:	154503
PubChem CID:	56313956
Reduced:	FN3O3H22C26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	445.129866
ΔH_f, kcal/mol:	-38.42
Dipole, Da:	4.51
IP(EA), eV:	-9.33(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-4-(tetrazol-1-yl)benzohydrazide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations