Geometry & MOs

Info

ID:	347159
PubChem CID:	127271700
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	360.207388
ΔH_f, kcal/mol:	-145.87
Dipole, Da:	1.62
IP(EA), eV:	-9.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)N1CCC2(C1)C(=O)N(C(=O)N2)C

DOS

IR

Vibrations