Geometry & MOs

Info

ID:	40594
PubChem CID:	8144391
Reduced:	OSN4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	55.65
Dipole, Da:	4.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957210
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(E)-2-methoxyethenyl]-3-phenyl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C1COCC[NH+]1CN2C(=S)N3C=CC=CC3=N2

DOS

IR

Vibrations