Geometry & MOs

Info

ID:	323365
PubChem CID:	126674561
Reduced:	ON4H36C48 (1)
Stoich.:	AB4C36D48 (1)
Weight, g/mol:	145.053907
ΔH_f, kcal/mol:	325.69
Dipole, Da:	2.77
IP(EA), eV:	-8.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-4-methyl-5-oxopyrrolidine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC12C=CC=CC1C3=C(N2C4=CC=CC=C4)C=C(C=C3)C5=CC6=C(C=C5)N(C7C6(C=CC=C7)C)C8=CC=C(C=C8)C9=NC=NC1=C9OC2=CC=CC=C21

DOS

IR

Vibrations