Geometry & MOs

Info

ID:	283675
PubChem CID:	103998403
Reduced:	NC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	13.9
Dipole, Da:	2.99
IP(EA), eV:	-8.81(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1CC2CN(CC2C1)CC3=CC4=C(CNC4)C=C3

DOS

IR

Vibrations