Geometry & MOs

Info

ID:	362021
PubChem CID:	127305550
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	4.6
IP(EA), eV:	-9.19(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)C3=CC4=C(NC(=O)NC4=O)N=C3

DOS

IR

Vibrations