Geometry & MOs

Info

ID:	422777
PubChem CID:	135118391
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	318.121572
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	3.42
IP(EA), eV:	-8.26(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylamino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(CCCC2)C(=N1)N[C@H]3CNCC[C@H]3OC

DOS

IR

Vibrations