Geometry & MOs

Info

ID:	46145
PubChem CID:	10522477
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	359.08437
ΔH_f, kcal/mol:	-129.07
Dipole, Da:	3.95
IP(EA), eV:	-8.86(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[1-(3,4-dichlorophenyl)but-3-enyl]-2-ethyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

COCCOCOC[C@@H](CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations