Geometry & MOs

Info

ID:	245288
PubChem CID:	99443255
Reduced:	NSF3O3C15H20 (1)
Stoich.:	ABC3D3E15F20 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-293.47
Dipole, Da:	2.52
IP(EA), eV:	-9.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)CS(=O)(=O)CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations