Geometry & MOs

Info

ID:	69705
PubChem CID:	47205213
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	219.075625
ΔH_f, kcal/mol:	3.57
Dipole, Da:	5.01
IP(EA), eV:	-9.58(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NCC1=CC=NN1)C2=CC=CC=C2

DOS

IR

Vibrations