Geometry & MOs

Info

ID:	314767
PubChem CID:	126623034
Reduced:	BrFO5N7H25C27 (1)
Stoich.:	ABC5D7E25F27 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	6.08
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate

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=NC(=CC(=C5)OC)Br)F

DOS

IR

Vibrations