Geometry & MOs

Info

ID:	121449
PubChem CID:	50768274
Reduced:	N3O3H25C27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	450.07251
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	2.31
IP(EA), eV:	-8.65(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-bromophenyl)sulfanylpyridazin-3-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CCC(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations