Geometry & MOs

Info

ID:	294770
PubChem CID:	117489806
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-89.38
Dipole, Da:	5.3
IP(EA), eV:	-8.15(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC=C(C=C2)CC(C)(C)C(=O)O

DOS

IR

Vibrations