Geometry & MOs

Info

ID:	340521
PubChem CID:	127262532
Reduced:	ClIN2O2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	291.085521
ΔH_f, kcal/mol:	-12.7
Dipole, Da:	3.38
IP(EA), eV:	-9.52(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxy-4-nitrophenyl)ethyl 1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)I)OC(=O)C2=CNN=C2

DOS

IR

Vibrations