Geometry & MOs

Info

ID:	314942
PubChem CID:	126623995
Reduced:	BrFO2N8H22C26 (1)
Stoich.:	ABC2D8E22F26 (1)
Weight, g/mol:	328.097168
ΔH_f, kcal/mol:	24.02
Dipole, Da:	6.75
IP(EA), eV:	-9.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-[(5-fluoropyridin-3-yl)amino]indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@@H]4C5=NC6=C(N5)C=CC(=N6)Br)F

DOS

IR

Vibrations