Geometry & MOs

Info

ID:	422330
PubChem CID:	135117649
Reduced:	N2O2C8H9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	436.172225
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	4.55
IP(EA), eV:	-9.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-(4,4,4-trifluorobutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)CCCC2=NC(=NO2)C3=CC=CO3

DOS

IR

Vibrations