Geometry & MOs

Info

ID:	154749
PubChem CID:	56314265
Reduced:	FN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	428.128469
ΔH_f, kcal/mol:	-129.92
Dipole, Da:	5.22
IP(EA), eV:	-9.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations