Geometry & MOs

Info

ID:	330165
PubChem CID:	127247152
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	3.99
IP(EA), eV:	-9.31(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCC(C2)C3=C(C=NN3)C

DOS

IR

Vibrations