Geometry & MOs

Info

ID:	281345
PubChem CID:	103913738
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	60.16
Dipole, Da:	4.51
IP(EA), eV:	-9.07(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations