Geometry & MOs

Info

ID:	372608
PubChem CID:	131300756
Reduced:	BrN2F3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	224.098334
ΔH_f, kcal/mol:	-139.38
Dipole, Da:	3.22
IP(EA), eV:	-9.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-thiophen-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(CCC(F)(F)F)Br

DOS

IR

Vibrations