Geometry & MOs

Info

ID:	213991
PubChem CID:	81065628
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	4.07
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C=CC(=C1)C)C#N

DOS

IR

Vibrations