Geometry & MOs

Info

ID:	143170
PubChem CID:	53157516
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	323.108148
ΔH_f, kcal/mol:	-22.32
Dipole, Da:	9.36
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-6-ethoxy-N-ethyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=O)C(=NN1C2=CC=C(C=C2)C)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations