Geometry & MOs

Info

ID:	147743
PubChem CID:	53787401
Reduced:	BrClN3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	74.42
Dipole, Da:	7.22
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(morpholin-4-ylmethyl)-2,3-dioxopiperidin-4-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=CN(C2=N1)C3=CC=CC(=C3Br)C(C)C)C#N)Cl

DOS

IR

Vibrations