Geometry & MOs

Info

ID:	424422
PubChem CID:	135122630
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-59.01
Dipole, Da:	2.22
IP(EA), eV:	-8.59(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-methyl-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CNN)COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations