Geometry & MOs

Info

ID:	61319
PubChem CID:	26708170
Reduced:	FO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	380.153621
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	12.13
IP(EA), eV:	-8.78(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylphenyl)methyl 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F

DOS

IR

Vibrations