Geometry & MOs

Info

ID:	314810
PubChem CID:	126623378
Reduced:	BrFO4N7H25C27 (1)
Stoich.:	ABC4D7E25F27 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	4.78
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-6-[(N,2-dimethylanilino)methyl]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN=C(N=C3)OC)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=CC=CC(=N5)CBr)F

DOS

IR

Vibrations