Geometry & MOs

Info

ID:	383612
PubChem CID:	134975424
Reduced:	NC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	371.89704
ΔH_f, kcal/mol:	45.29
Dipole, Da:	3.06
IP(EA), eV:	-9.17(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-3-(4-iodopyrazol-1-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCC2=CC=CC=C2

DOS

IR

Vibrations