Geometry & MOs

Info

ID:	304427
PubChem CID:	124593881
Reduced:	BrClON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	4.88
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)CC2=C(C=C(C=C2)Cl)Br)N

DOS

IR

Vibrations