Geometry & MOs

Info

ID:	281350
PubChem CID:	103913744
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	7.16
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(6-hydroxyhexylamino)ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations