Geometry & MOs

Info

ID:	405100
PubChem CID:	135072519
Reduced:	BrNOPH17C20 (1)
Stoich.:	ABCDE17F20 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	15.35
Dipole, Da:	6.05
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(1-methyl-4-phenylpyrazol-3-yl)benzoate

Drug info:

PubChemData

Smile

C/C(=N\P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)/C3=CC=CC=C3Br

DOS

IR

Vibrations