Geometry & MOs

Info

ID:	355409
PubChem CID:	127288472
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-86.78
Dipole, Da:	4.65
IP(EA), eV:	-8.78(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridin-3-ylmethylsulfanyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC1C(=O)N2CCCC2C3=C(N(N=C3C)C)C

DOS

IR

Vibrations