Geometry & MOs

Info

ID:	213097
PubChem CID:	81062839
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-146.33
Dipole, Da:	3.12
IP(EA), eV:	-9.54(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C1=CC=CC=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations