Geometry & MOs

Info

ID:	270873
PubChem CID:	103638482
Reduced:	OCl2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	250.111756
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	3.67
IP(EA), eV:	-10.34(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutyl)-2-fluoro-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCCC(C#N)NC(=O)C1=CC(=NC(=C1)Cl)Cl

DOS

IR

Vibrations