Geometry & MOs

Info

ID:	314780
PubChem CID:	126623061
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	636.12444
ΔH_f, kcal/mol:	-20.8
Dipole, Da:	6.48
IP(EA), eV:	-9.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-acetyl-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-3-fluoropyrrolidine-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CC2CCC1C(N2)C(=O)NC3=NC(=CC=C3)Br

DOS

IR

Vibrations