Geometry & MOs

Info

ID:	294769
PubChem CID:	117489722
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-169.81
Dipole, Da:	5.12
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC2=C1OCCO2)C3(CCCCC3)C(=O)O

DOS

IR

Vibrations