Geometry & MOs

Info

ID:	207718
PubChem CID:	80442432
Reduced:	ClN4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	108.05
Dipole, Da:	3.39
IP(EA), eV:	-9.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-5-(2-methylpropyl)-N-propylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C(=C1C#N)Cl)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations