Geometry & MOs

Info

ID:	128706
PubChem CID:	51054930
Reduced:	ClN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	405.069175
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	7.08
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations