Geometry & MOs

Info

ID:	279467
PubChem CID:	103844020
Reduced:	ClFNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	312.96175
ΔH_f, kcal/mol:	-59.17
Dipole, Da:	3.81
IP(EA), eV:	-9.58(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(5-methyl-1H-pyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CO)Cl)OCC2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations