Geometry & MOs

Info

ID:	314955
PubChem CID:	126624009
Reduced:	FO3N5H28C29 (1)
Stoich.:	AB3C5D28E29 (1)
Weight, g/mol:	252.101111
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	8.4
IP(EA), eV:	-8.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-methylpyrimidin-5-yl)-1H-indazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)NC3=CN=CC=C3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=CC=CC=C5)F

DOS

IR

Vibrations