Geometry & MOs

Info

ID:	122175
PubChem CID:	50796992
Reduced:	BrN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	497.183873
ΔH_f, kcal/mol:	-109.5
Dipole, Da:	7.92
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)OC)Br)OC1=O

DOS

IR

Vibrations