Geometry & MOs

Info

ID:	324211
PubChem CID:	126677147
Reduced:	FON6H19C22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	355.027917
ΔH_f, kcal/mol:	47.61
Dipole, Da:	4.89
IP(EA), eV:	-8.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(6-chloropyridazin-3-yl)methoxy]-5-phenylbenzonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N

DOS

IR

Vibrations