Geometry & MOs

Info

ID:	188932
PubChem CID:	77787026
Reduced:	NCl2O5C24H29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	383.182062
ΔH_f, kcal/mol:	-205.75
Dipole, Da:	3.54
IP(EA), eV:	-8.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[5-(trifluoromethyl)pyrrolidin-3-yl]oxybenzamide

Drug info:

PubChemData

Smile

CC(C)OC(CC1=CC(=C(C=C1)OC)CNC(=C(C)CC2=C(C=C(C=C2)Cl)Cl)O)C(=O)O

DOS

IR

Vibrations