Geometry & MOs

Info

ID:	305706
PubChem CID:	124966202
Reduced:	N4O4C15H22 (1)
Stoich.:	A4B4C15D22 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-99.47
Dipole, Da:	6.45
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylimidazol-1-yl)-1-[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCC1N2CCN(C[C@H](C2)C(=O)N)C(=O)C3=CC=NO3

DOS

IR

Vibrations