Geometry & MOs

Info

ID:	231310
PubChem CID:	87573442
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	309.05757
ΔH_f, kcal/mol:	-159.89
Dipole, Da:	5.39
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-bromopropyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC(=O)OC3=CC(=CC(=C23)O)O

DOS

IR

Vibrations