Geometry & MOs

Info

ID:	344606
PubChem CID:	127268190
Reduced:	FON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	389.165188
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	6.63
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CC2)C(=O)CN3CCN(CC3)C4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations