Geometry & MOs

Info

ID:	188326
PubChem CID:	77700160
Reduced:	O2N4C31H36 (1)
Stoich.:	A2B4C31D36 (1)
Weight, g/mol:	396.091308
ΔH_f, kcal/mol:	-11.51
Dipole, Da:	1.18
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-4,5-difluorobenzoyl)amino]-N-(5-methylpyrazin-2-yl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C#N)NC4CCCCC4OCC5=CC=CC=C5

DOS

IR

Vibrations