Geometry & MOs

Info

ID:	236843
PubChem CID:	92714975
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-123.82
Dipole, Da:	2.03
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2[C@@H](C3=CC=CC=C3C2=O)C(=O)NCCCOC

DOS

IR

Vibrations