Geometry & MOs

Info

ID:	65917
PubChem CID:	46387027
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	455.148121
ΔH_f, kcal/mol:	15.33
Dipole, Da:	4.26
IP(EA), eV:	-8.85(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NN=C(C=C2)C3=CC(=CC=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations