Geometry & MOs

Info

ID:	65839
PubChem CID:	46386927
Reduced:	N3O5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	6.19
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=CC=C4OC)OC

DOS

IR

Vibrations