Geometry & MOs

Info

ID:	309970
PubChem CID:	126571569
Reduced:	O2N3F5H16C17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	374.080216
ΔH_f, kcal/mol:	-240.85
Dipole, Da:	3.14
IP(EA), eV:	-9.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-nitrosopropan-1-one

Drug info:

PubChemData

Smile

C[C@@](C1C(O1)N2CCC3=C(C2)C=NN3C4=C(C=C(C=C4)F)F)(C(F)(F)F)O

DOS

IR

Vibrations