Geometry & MOs

Info

ID:	329873
PubChem CID:	127246740
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	6.85
Dipole, Da:	6.69
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-5-propan-2-ylpyrazol-3-yl)-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)N2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations