Geometry & MOs

Info

ID:	330435
PubChem CID:	127247422
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	9.18
Dipole, Da:	3.23
IP(EA), eV:	-9.26(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations