Geometry & MOs

Info

ID:	186829
PubChem CID:	77490962
Reduced:	FN2O4C33H43 (1)
Stoich.:	AB2C4D33E43 (1)
Weight, g/mol:	442.169271
ΔH_f, kcal/mol:	-159.3
Dipole, Da:	2.35
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-fluorophenyl)prop-2-enoyl]-3,3-diphenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-1-one

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OCCN2CCCC2)F)C3C=C(C(=CC3C4CCC5=C(C4)C=CC(=C5)O)OC)OC

DOS

IR

Vibrations