Geometry & MOs

Info

ID:	130470
PubChem CID:	51090919
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	332.182396
ΔH_f, kcal/mol:	-159.84
Dipole, Da:	3.27
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC/C=C(/C)\C(=O)NCCC1=CC(=CC2=C1OCOC2)F

DOS

IR

Vibrations