Geometry & MOs

Info

ID:	340520
PubChem CID:	127262531
Reduced:	N2O3C8H12 (1)
Stoich.:	A2B3C8D12 (1)
Weight, g/mol:	375.94755
ΔH_f, kcal/mol:	-103.78
Dipole, Da:	2.33
IP(EA), eV:	-10.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-iodophenyl)ethyl 1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(CCO)OC(=O)C1=CNN=C1

DOS

IR

Vibrations