Geometry & MOs

Info

ID:	40592
PubChem CID:	8144389
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	51.18
Dipole, Da:	3.38
IP(EA), eV:	-8.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCOCC3)C4=CN=CC=C4

DOS

IR

Vibrations