Geometry & MOs

Info

ID:	65877
PubChem CID:	46386967
Reduced:	FO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	417.185255
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	4.34
IP(EA), eV:	-9.38(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=C(C=C4)F

DOS

IR

Vibrations