Geometry & MOs

Info

ID:	313674
PubChem CID:	126617044
Reduced:	ON2C19H36 (1)
Stoich.:	AB2C19D36 (1)
Weight, g/mol:	577.116223
ΔH_f, kcal/mol:	-115.43
Dipole, Da:	2.48
IP(EA), eV:	-9.32(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC[C@H](C2CCCCC2)N)C(C)C

DOS

IR

Vibrations