Geometry & MOs

Info

ID:	241063
PubChem CID:	93621488
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	27.67
Dipole, Da:	4.77
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-1-propyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations