Geometry & MOs

Info

ID:	397213
PubChem CID:	135029897
Reduced:	FN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-137.99
Dipole, Da:	2.06
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(pyrrolidin-1-yldiazenyl)phenyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(CCCN2C(=O)C(OC3=CC=CC=C3C#N)F)C=C1

DOS

IR

Vibrations