Geometry & MOs

Info

ID:	362044
PubChem CID:	127305581
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	352.08987
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	6.2
IP(EA), eV:	-8.96(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromo-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=N2)C(=O)N(C)C3CN4CCC3CC4)C(=O)NC1=O

DOS

IR

Vibrations