Geometry & MOs

Info

ID:	285117
PubChem CID:	104098255
Reduced:	O2S2N3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	254.033683
ΔH_f, kcal/mol:	46.68
Dipole, Da:	7.3
IP(EA), eV:	-9.6(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-N-[(5-nitrothiophen-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations