Geometry & MOs

Info

ID:	142585
PubChem CID:	53062095
Reduced:	BrON4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	419.128134
ΔH_f, kcal/mol:	19.53
Dipole, Da:	3.81
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=NC=N2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations