Geometry & MOs

Info

ID:	226659
PubChem CID:	87550983
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	228.046569
ΔH_f, kcal/mol:	109.85
Dipole, Da:	3.84
IP(EA), eV:	-9.11(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1,3-bis(prop-2-enyl)pyrazole-4-carbonyl fluoride

Drug info:

PubChemData

Smile

C1CN(CCC1=CC#CC2=CN=CC=C2)C3=C(C=CC=N3)[N+](=O)[O-]

DOS

IR

Vibrations