Geometry & MOs

Info

ID:	45701
PubChem CID:	10516641
Reduced:	O2N3H11C16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	12.65
Dipole, Da:	5.52
IP(EA), eV:	-8.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-2-methyl-5-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C=C(N2C3=CC4=C(C=C3)N=CN4)O

DOS

IR

Vibrations