Geometry & MOs

Info

ID:	23057
PubChem CID:	601478
Reduced:	N2O2F4H12C13 (1)
Stoich.:	A2B2C4D12E13 (1)
Weight, g/mol:	304.08349
ΔH_f, kcal/mol:	-246.56
Dipole, Da:	5.91
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[2-(6-fluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=CN2)CCNC(=O)C(F)(F)F)F

DOS

IR

Vibrations