Geometry & MOs

Info

ID:	130679
PubChem CID:	51091994
Reduced:	ClN3O3C16H24 (1)
Stoich.:	AB3C3D16E24 (1)
Weight, g/mol:	321.185255
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	3.19
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=NC(=C(C=C1)Cl)C(=O)NCC(C)(C)N2CCOCC2

DOS

IR

Vibrations