Geometry & MOs

Info

ID:	322857
PubChem CID:	126671477
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	610.11396
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	2.81
IP(EA), eV:	-9.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-5-fluoro-3-methylpyridin-2-yl)-4-fluorocyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OCC2=CC=C(C=C2)C#CCCCCO

DOS

IR

Vibrations