Geometry & MOs

Info

ID:	306450
PubChem CID:	125011768
Reduced:	FN5C20H22 (1)
Stoich.:	AB5C20D22 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	33.03
Dipole, Da:	1.13
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imidazol-1-yl-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@H]2CCCCN2CC3=CC=CC=C3F)C4=NC=CN4

DOS

IR

Vibrations