Geometry & MOs

Info

ID:	294753
PubChem CID:	117488600
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	301.97092
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	5.11
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-6-chlorophenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(S1)C=CC(=C2)C3(CCCC3)C(=O)O

DOS

IR

Vibrations