Geometry & MOs

Info

ID:	136886
PubChem CID:	52118986
Reduced:	BrFO3N4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	4.74
IP(EA), eV:	-8.96(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)C=CC(=N2)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations