Geometry & MOs

Info

ID:	38118
PubChem CID:	8027154
Reduced:	N5C8H8 (1)
Stoich.:	A5B8C8 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	145.24
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805014
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=NN=N[N-]2)N

DOS

IR

Vibrations