Geometry & MOs

Info

ID:	281337
PubChem CID:	103913726
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	6.29
IP(EA), eV:	-9.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(5-methoxypentylamino)ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C#N)NCCCNS(=O)(=O)C

DOS

IR

Vibrations