Geometry & MOs

Info

ID:	188923
PubChem CID:	77787017
Reduced:	N2O5C22H32 (1)
Stoich.:	A2B5C22D32 (1)
Weight, g/mol:	361.101561
ΔH_f, kcal/mol:	-227.8
Dipole, Da:	3.65
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC=CC1=NC(=CC=C1)C(C(COC(=O)C)NC(=O)C)OC(=O)C

DOS

IR

Vibrations