Geometry & MOs

Info

ID:	66226
PubChem CID:	46500461
Reduced:	BrNO2F3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	444.06602
ΔH_f, kcal/mol:	-169.78
Dipole, Da:	7.7
IP(EA), eV:	-9.06(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-cycloheptylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F

DOS

IR

Vibrations