Geometry & MOs

Info

ID:	224784
PubChem CID:	85352902
Reduced:	C7H13 (2)
Stoich.:	A7B13 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	1.08
IP(EA), eV:	-9.33(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2,3,5,6-tetrahydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCCCCCC=CC(=C)CCCC

DOS

IR

Vibrations