Geometry & MOs

Info

ID:	323092
PubChem CID:	126672274
Reduced:	FO4N7C29H30 (1)
Stoich.:	AB4C7D29E30 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	5.34
IP(EA), eV:	-8.54(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-3,3-dimethyl-1-phenyl-5-pyrrolidin-1-ylindol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5C[C@H]6[C@@H](C5)OCCN6C

DOS

IR

Vibrations