Geometry & MOs

Info

ID:	170091
PubChem CID:	75195778
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	344.14601
ΔH_f, kcal/mol:	-102.68
Dipole, Da:	4.1
IP(EA), eV:	-8.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C=CC2=CC=CO2

DOS

IR

Vibrations