Geometry & MOs

Info

ID:	237953
PubChem CID:	92723013
Reduced:	N2O2C14H15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	2.79
IP(EA), eV:	-8.24(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H](CC(=O)N2CCN(CC2)C3=CC=CC=N3)N4CC5=CC=CC=C5C4=O)OC

DOS

IR

Vibrations