Geometry & MOs

Info

ID:	199613
PubChem CID:	79270771
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	-1.57
Dipole, Da:	1.81
IP(EA), eV:	-8.12(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydroisoindol-2-yl)-2-(prop-2-ynylamino)ethanone

Drug info:

PubChemData

Smile

COCCNCCNC1=CC=CC=C1CC2=CC=CC=C2

DOS

IR

Vibrations