Geometry & MOs

Info

ID:	185080
PubChem CID:	77251672
Reduced:	O3C35H38 (1)
Stoich.:	A3B35C38 (1)
Weight, g/mol:	354.13036
ΔH_f, kcal/mol:	-29.23
Dipole, Da:	1.62
IP(EA), eV:	-9.23(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(trifluoromethoxy)-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

C=CCCCCOC(COCC1=CC=CC=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations