Geometry & MOs

Info

ID:	232029
PubChem CID:	87575197
Reduced:	SiO4C17H36 (1)
Stoich.:	AB4C17D36 (1)
Weight, g/mol:	621.138451
ΔH_f, kcal/mol:	-174.45
Dipole, Da:	2.9
IP(EA), eV:	-7.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-amino-3-[2,4-bis(trifluoromethyl)phenyl]-1-oxopropan-2-yl]-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(CCCCCCC[Si]C(OCC)OCC)OCC

DOS

IR

Vibrations