Geometry & MOs

Info

ID:	144955
PubChem CID:	53437607
Reduced:	N3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	87.16
Dipole, Da:	11.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.330178
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+](C)(CCCN)C1=C2C=CC=CC2=NC3=CC=CC=C31

DOS

IR

Vibrations