Geometry & MOs

Info

ID:	327233
PubChem CID:	126689300
Reduced:	F3O3N4C24H25 (1)
Stoich.:	A3B3C4D24E25 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-231.58
Dipole, Da:	5.05
IP(EA), eV:	-9.12(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-amino-4-(3-hydroxypropylamino)phenyl]-1,3,3-trimethylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@]1(CCC(=O)N1C)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations