Geometry & MOs

Info

ID:	157641
PubChem CID:	56436218
Reduced:	ON2C14H18 (2)
Stoich.:	AB2C14D18 (2)
Weight, g/mol:	478.219175
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	4.84
IP(EA), eV:	-8.37(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3CC4CCCCC4N3C(=O)C5=CC=CC=C5

DOS

IR

Vibrations