Geometry & MOs

Info

ID:	268089
PubChem CID:	103597773
Reduced:	ClFN3O3H13C18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	1.69
IP(EA), eV:	-9.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enyl 4-(pyrazol-1-ylmethyl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C=NOCC2=COC(=N2)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations