Geometry & MOs

Info

ID:	244801
PubChem CID:	99381476
Reduced:	BrO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-57.2
Dipole, Da:	2.09
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)CC(=O)N)C(=O)C2=C(C3=CC=CC=C3N2)Br

DOS

IR

Vibrations