Geometry & MOs

Info

ID:	178329
PubChem CID:	76310614
Reduced:	ClO2F3N4H12C18 (1)
Stoich.:	AB2C3D4E12F18 (1)
Weight, g/mol:	424.093833
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	8.77
IP(EA), eV:	-9.42(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[3-(5-chloro-2,3-dioxoindol-1-yl)propyl]triazol-4-yl]methoxy]benzaldehyde

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations