Geometry & MOs

Info

ID:	294916
PubChem CID:	117505241
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-186.06
Dipole, Da:	4.37
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC(CN2)C(=O)O)OC3CCCOC3

DOS

IR

Vibrations