Geometry & MOs

Info

ID:	318310
PubChem CID:	126650418
Reduced:	BrN2O6C26H29 (1)
Stoich.:	AB2C6D26E29 (1)
Weight, g/mol:	521.268985
ΔH_f, kcal/mol:	-237.62
Dipole, Da:	6.89
IP(EA), eV:	-9.62(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-methoxy-2-methyl-3-[1-(2-pyrrol-1-ylethyl)piperidin-3-yl]isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)COC2=CC3=C(CN(C3=O)C(=O)O)C=C2)C4=CC=C(C=C4)Br

DOS

IR

Vibrations