Geometry & MOs

Info

ID:	237328
PubChem CID:	92718536
Reduced:	NO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	291.100777
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	9.14
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-[(1,3-dioxoisoindol-5-yl)amino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2[C@H](CC3=CC=CC=C32)C(=O)O)O

DOS

IR

Vibrations