Geometry & MOs

Info

ID:	45378
PubChem CID:	10512364
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	203.034921
ΔH_f, kcal/mol:	4.23
Dipole, Da:	2.13
IP(EA), eV:	-8.12(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(chloromethyl)-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1C[C@H](N1C2=CC=CC=C2C)CC

DOS

IR

Vibrations