Geometry & MOs

Info

ID:	314880
PubChem CID:	126623885
Reduced:	FN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	589.1437
ΔH_f, kcal/mol:	-94.86
Dipole, Da:	2.65
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[(6-bromopyridin-2-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)OF)C(=O)NCCCC2=CC=CC=C2

DOS

IR

Vibrations