Geometry & MOs

Info

ID:	232965
PubChem CID:	87577825
Reduced:	ClO2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	537.115288
ΔH_f, kcal/mol:	-4.92
Dipole, Da:	7.73
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-2-[(4-chloro-2-fluorophenyl)methyl]-3-[1-(2,4-dichlorophenyl)cyclopropyl]-3-oxopropanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CNC2=C(C(=NC(=N2)N)Cl)CC3CO3

DOS

IR

Vibrations