Geometry & MOs

Info

ID:	310671
PubChem CID:	126584218
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	13.71
IP(EA), eV:	-8.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-fluoro-1H-indol-3-yl)phenyl]-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C=CC(=C21)N)[N+](=O)[O-])CCC(=O)O

DOS

IR

Vibrations