Geometry & MOs

Info

ID:	180245
PubChem CID:	76604114
Reduced:	NC9H14 (4)
Stoich.:	AB9C14 (4)
Weight, g/mol:	429.142402
ΔH_f, kcal/mol:	-28.26
Dipole, Da:	1.04
IP(EA), eV:	-8.17(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-1-methyl-N-[1-(methylamino)-1-oxo-3-phenyl-4-[(2,2,2-trifluoroacetyl)amino]butan-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3CC4C5CCCCC5C6N4N7C8CC2N3N9C(C6)C1CCCCC1C9CC7C1C8CCCC1

DOS

IR

Vibrations