Geometry & MOs

Info

ID:	64412
PubChem CID:	29200209
Reduced:	ClFN4O4C20H20 (1)
Stoich.:	ABC4D4E20F20 (1)
Weight, g/mol:	434.115711
ΔH_f, kcal/mol:	-91.42
Dipole, Da:	3.49
IP(EA), eV:	-9.32(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chloro-3-nitrobenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations