Geometry & MOs

Info

ID:	314755
PubChem CID:	126623008
Reduced:	NO5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	575.12805
ΔH_f, kcal/mol:	-231.43
Dipole, Da:	5.98
IP(EA), eV:	-9.73(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CC2CC2(N1C(=O)OC(C)(C)C)COC)C(=O)O

DOS

IR

Vibrations