Geometry & MOs

Info

ID:	244802
PubChem CID:	99381477
Reduced:	FO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	5.92
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CC(=O)N3CCCC[C@@H]3CC(=O)N

DOS

IR

Vibrations