Geometry & MOs

Info

ID:	360291
PubChem CID:	127300934
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	63.33
Dipole, Da:	2.85
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

DOS

IR

Vibrations