Geometry & MOs

Info

ID:	65851
PubChem CID:	46386941
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	455.148121
ΔH_f, kcal/mol:	-21.83
Dipole, Da:	1.76
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)NCCC4=CCCCC4

DOS

IR

Vibrations