Geometry & MOs

Info

ID:	280565
PubChem CID:	103849910
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	2.93
IP(EA), eV:	-9.53(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CN(CC(=O)OC)C(=O)[C@H]1CCCO1

DOS

IR

Vibrations