Geometry & MOs

Info

ID:	39288
PubChem CID:	8140063
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	372.228717
ΔH_f, kcal/mol:	-98.8
Dipole, Da:	2.0
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)C

DOS

IR

Vibrations