Geometry & MOs

Info

ID:	370671
PubChem CID:	127339833
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	2.79
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(C4=CC=CC(=C4O3)C)C

DOS

IR

Vibrations