Geometry & MOs

Info

ID:	218067
PubChem CID:	85088813
Reduced:	NO6C24H27 (1)
Stoich.:	AB6C24D27 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	1.76
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylideneamino)oxy-1-[6-[3-(4-hydroxyphenoxy)-4-methoxyphenyl]-4,5-dihydro-3H-pyridazin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)OC1C=CC2(C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3CC=C)OC(=O)C

DOS

IR

Vibrations