Geometry & MOs

Info

ID:	39286
PubChem CID:	8140058
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	372.228717
ΔH_f, kcal/mol:	-128.21
Dipole, Da:	6.36
IP(EA), eV:	-8.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O

DOS

IR

Vibrations