Geometry & MOs

Info

ID:	168481
PubChem CID:	74974818
Reduced:	SO4N6C25H30 (1)
Stoich.:	AB4C6D25E30 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-36.26
Dipole, Da:	7.5
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-[1-(4-methylphenyl)ethylideneamino]oxypyridazin-3-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N2CCC(CC2)OC3=C(C(=NC=N3)ON=C(C)C4=CC=C(C=C4)S(=O)(=O)C)C

DOS

IR

Vibrations