Geometry & MOs

Info

ID:	121714
PubChem CID:	50778579
Reduced:	O3N4H26C27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	402.129217
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	3.19
IP(EA), eV:	-8.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(C=C2)NC3=CC=CC(=C3)C(=O)NCC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations