Geometry & MOs

Info

ID:	399546
PubChem CID:	135040867
Reduced:	C7H8 (2)
Stoich.:	A7B8 (2)
Weight, g/mol:	332.01919
ΔH_f, kcal/mol:	58.27
Dipole, Da:	0.65
IP(EA), eV:	-9.37(0.37)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate;yttrium

Drug info:

PubChemData

Smile

CC#CCCC(C=C)C1=CC=CC=C1

DOS

IR

Vibrations