Geometry & MOs

Info

ID:	329842
PubChem CID:	127246709
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-4.61
Dipole, Da:	5.68
IP(EA), eV:	-8.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations