Geometry & MOs

Info

ID:	372640
PubChem CID:	131301363
Reduced:	NCl2F2O2C9H9 (1)
Stoich.:	AB2C2D2E9F9 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	-195.16
Dipole, Da:	4.49
IP(EA), eV:	-9.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(5-nitrothiophen-2-yl)ethyl]piperazine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)C(C(CO)(F)F)N)Cl)Cl

DOS

IR

Vibrations