Geometry & MOs

Info

ID:	428611
PubChem CID:	135167791
Reduced:	FN4O4C29H39 (1)
Stoich.:	AB4C4D29E39 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-207.11
Dipole, Da:	8.14
IP(EA), eV:	-8.05(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methylidene-2-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=C2C=CC(=C3)OC(C)C)[C@@H](C)C4CCN(CC4)CF)C)OC

DOS

IR

Vibrations