Geometry & MOs

Info

ID:	367797
PubChem CID:	127325865
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-95.78
Dipole, Da:	9.32
IP(EA), eV:	-9.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(=O)N2CCC(C2)OCC3=CC=NC=C3

DOS

IR

Vibrations