Geometry & MOs

Info

ID:	415651
PubChem CID:	135088650
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-189.16
Dipole, Da:	4.23
IP(EA), eV:	-9.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-hydroxy-2,2-dimethylpropyl)amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)C(=O)CC3=CC=C(C=C3)CO

DOS

IR

Vibrations