Geometry & MOs

Info

ID:	294938
PubChem CID:	117506238
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	1.77
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-pyrazol-1-ylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)N2C=C(C=N2)Br)C(=O)O

DOS

IR

Vibrations