Geometry & MOs

Info

ID:	69085
PubChem CID:	46518184
Reduced:	N4O5C17H24 (1)
Stoich.:	A4B5C17D24 (1)
Weight, g/mol:	372.159769
ΔH_f, kcal/mol:	-131.75
Dipole, Da:	7.37
IP(EA), eV:	-9.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations