Geometry & MOs

Info

ID:	270874
PubChem CID:	103638483
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	-92.6
Dipole, Da:	6.18
IP(EA), eV:	-9.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutyl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C#N)NC(=O)C1=C(C=C(C=C1)OC)F

DOS

IR

Vibrations