Geometry & MOs

Info

ID:	397974
PubChem CID:	135031216
Reduced:	BrO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	364.196234
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	2.69
IP(EA), eV:	-9.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-tert-butyl-5,7-difluorospiro[2H-indole-3,1'-cyclohexane]-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1C2=CC=CC=C2Br)C=O)C

DOS

IR

Vibrations