Geometry & MOs

Info

ID:	131265
PubChem CID:	51183996
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-49.86
Dipole, Da:	5.38
IP(EA), eV:	-9.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(C)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations