Geometry & MOs

Info

ID:	65864
PubChem CID:	46386954
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	455.148121
ΔH_f, kcal/mol:	13.37
Dipole, Da:	3.88
IP(EA), eV:	-9.11(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations