Geometry & MOs

Info

ID:	65293
PubChem CID:	29211932
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	4.11
IP(EA), eV:	-9.42(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C[C@@]1\2CC[C@@H](C1(C)C)C/C2=N\NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

DOS

IR

Vibrations