Geometry & MOs

Info

ID:	136883
PubChem CID:	52118762
Reduced:	N2O3C12H12 (2)
Stoich.:	A2B3C12D12 (2)
Weight, g/mol:	412.134697
ΔH_f, kcal/mol:	-167.99
Dipole, Da:	7.34
IP(EA), eV:	-9.2(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C=CC(=N2)C(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations