Geometry & MOs

Info

ID:	130576
PubChem CID:	51091329
Reduced:	F2N2O3C12H12 (1)
Stoich.:	A2B2C3D12E12 (1)
Weight, g/mol:	305.101171
ΔH_f, kcal/mol:	-202.3
Dipole, Da:	7.73
IP(EA), eV:	-9.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazol-1-ylethyl 4-ethoxy-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C2=CC=C(C=C2)C(=O)OCC(F)F

DOS

IR

Vibrations