Geometry & MOs

Info

ID:	65825
PubChem CID:	46386911
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	415.13322
ΔH_f, kcal/mol:	-31.64
Dipole, Da:	4.06
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)C1=CC=C(C=C1)C2=NN=C(C=C2)OC3=CC=CC=C3OC

DOS

IR

Vibrations