Geometry & MOs

Info

ID:	306692
PubChem CID:	125165341
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-83.96
Dipole, Da:	1.87
IP(EA), eV:	-8.9(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)N2CCC(CC2)N3C[C@H](OCC3=O)CNC(=O)CN4C=CC=N4

DOS

IR

Vibrations