Geometry & MOs

Info

ID:	138202
PubChem CID:	52327391
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	374.0266
ΔH_f, kcal/mol:	-133.76
Dipole, Da:	6.54
IP(EA), eV:	-9.92(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-1-benzofuran-2-yl)ethyl (E)-3-(1-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)N1C[C@@H]2CC[C@H]1C2

DOS

IR

Vibrations