Geometry & MOs

Info

ID:	355396
PubChem CID:	127288459
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-42.02
Dipole, Da:	6.32
IP(EA), eV:	-8.99(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCCC3

DOS

IR

Vibrations