Geometry & MOs

Info

ID:	281340
PubChem CID:	103913729
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-48.08
Dipole, Da:	3.97
IP(EA), eV:	-9.09(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC#N)NCCCCCO

DOS

IR

Vibrations