Geometry & MOs

Info

ID:	141478
PubChem CID:	52880863
Reduced:	FN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	421.172559
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	8.78
IP(EA), eV:	-8.4(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)N4CCC(CC4)NC5=CC=C(C=C5)F

DOS

IR

Vibrations