Geometry & MOs

Info

ID:	65863
PubChem CID:	46386953
Reduced:	N3O5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-64.72
Dipole, Da:	4.52
IP(EA), eV:	-8.63(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-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=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations