Geometry & MOs

Info

ID:	237950
PubChem CID:	92723003
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-106.24
Dipole, Da:	1.26
IP(EA), eV:	-8.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C[C@@H](C2=CC(=C(C=C2)OC)OC)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations