Geometry & MOs

Info

ID:	290549
PubChem CID:	104643862
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-129.87
Dipole, Da:	1.51
IP(EA), eV:	-8.62(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyanophenyl)methylamino]-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC(C)(C(=O)OC)O)Cl

DOS

IR

Vibrations