Geometry & MOs

Info

ID:	198977
PubChem CID:	79182291
Reduced:	ClNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-21.26
Dipole, Da:	2.65
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCN1CCOC(C1)COC2=CC=CC=C2C#CCCl

DOS

IR

Vibrations