Geometry & MOs

Info

ID:	70219
PubChem CID:	47211734
Reduced:	Cl2N3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	-127.95
Dipole, Da:	4.34
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-2-(4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)NCCNC1=C(C=C(C=N1)Cl)Cl

DOS

IR

Vibrations