Geometry & MOs

Info

ID:	168482
PubChem CID:	74974819
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	496.07799
ΔH_f, kcal/mol:	-83.29
Dipole, Da:	6.5
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-[1-(5-bromothiophen-2-yl)ethylideneamino]oxypyridazin-3-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NOC2=NN=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations