Geometry & MOs

Info

ID:	406364
PubChem CID:	135077381
Reduced:	ClO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	362.094582
ΔH_f, kcal/mol:	31.84
Dipole, Da:	2.84
IP(EA), eV:	-8.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropropoxy)-2-[(4-fluoroanilino)diazenyl]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NN=NC2=CC(=C(C=C2C#N)OC)OCCCCl

DOS

IR

Vibrations