Geometry & MOs

Info

ID:	121742
PubChem CID:	50779782
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	447.09577
ΔH_f, kcal/mol:	-87.05
Dipole, Da:	3.74
IP(EA), eV:	-9.29(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

CCCCN(CCC(=O)N1CCNCC1)C(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations