Geometry & MOs

Info

ID:	65833
PubChem CID:	46386920
Reduced:	N3O5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	429.14887
ΔH_f, kcal/mol:	-60.54
Dipole, Da:	4.27
IP(EA), eV:	-8.24(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-4-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=CC=C4OC

DOS

IR

Vibrations