Geometry & MOs

Info

ID:	330337
PubChem CID:	127247324
Reduced:	FON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	6.73
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCC3=CC=CC=C3F

DOS

IR

Vibrations