Geometry & MOs

Info

ID:	188677
PubChem CID:	77753092
Reduced:	PN5O10C16H24 (1)
Stoich.:	AB5C10D16E24 (1)
Weight, g/mol:	386.121962
ΔH_f, kcal/mol:	-456.99
Dipole, Da:	7.14
IP(EA), eV:	-9.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-chlorophenyl)ethenyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C(C(=O)O)O

DOS

IR

Vibrations