Geometry & MOs

Info

ID:	377039
PubChem CID:	134223074
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-29.85
Dipole, Da:	2.05
IP(EA), eV:	-8.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[6-(methylaminomethyl)-3-oxo-1H-isoindol-2-yl]hex-5-enamide

Drug info:

PubChemData

Smile

CC[C@H]1[C@H](C2=CC=CC=C2CO1)N(C)C

DOS

IR

Vibrations