Geometry & MOs

Info

ID:	281344
PubChem CID:	103913737
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	2.62
Dipole, Da:	5.52
IP(EA), eV:	-9.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(pent-4-ynylamino)ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC(C)C2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations