Geometry & MOs

Info

ID:	306146
PubChem CID:	125001769
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	3.3
IP(EA), eV:	-8.91(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-1H-pyrazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=CC=CC(=N2)C3CCNCC3

DOS

IR

Vibrations