Geometry & MOs

Info

ID:	355403
PubChem CID:	127288466
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	19.89
Dipole, Da:	6.46
IP(EA), eV:	-8.91(-0.2)
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]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C(C)SC3=NN=CN3C

DOS

IR

Vibrations