Geometry & MOs

Info

ID:	64411
PubChem CID:	29200186
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	434.115711
ΔH_f, kcal/mol:	-34.01
Dipole, Da:	7.18
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations