Geometry & MOs

Info

ID:	372216
PubChem CID:	131294409
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	243.032955
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	7.02
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-thiophen-2-yl-(2,4,5-trifluorophenyl)methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C#N)C(CO)N)O

DOS

IR

Vibrations