Geometry & MOs

Info

ID:	200734
PubChem CID:	79435586
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-93.44
Dipole, Da:	4.34
IP(EA), eV:	-9.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-4-propan-2-yloxybutanoic acid

Drug info:

PubChemData

Smile

CCC(CC)C1CC(=O)NC(=O)C1C2=CC=C(C=C2)Br

DOS

IR

Vibrations