Geometry & MOs

Info

ID:	154216
PubChem CID:	56313622
Reduced:	F2O2N3H23C25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	452.185983
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	5.04
IP(EA), eV:	-8.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diethylaminomethyl)-N'-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]furan-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CN(CC1CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations