Geometry & MOs

Info

ID:	155202
PubChem CID:	56322635
Reduced:	FO3N5C22H28 (1)
Stoich.:	AB3C5D22E28 (1)
Weight, g/mol:	389.193712
ΔH_f, kcal/mol:	-61.55
Dipole, Da:	3.77
IP(EA), eV:	-8.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2CCN(CC2)C)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations