Geometry & MOs

Info

ID:	415524
PubChem CID:	135088520
Reduced:	O2N3C13H16 (2)
Stoich.:	A2B3C13D16 (2)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	8.25
IP(EA), eV:	-8.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(aminomethyl)piperidin-1-yl]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=CC=CN2)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations