Geometry & MOs

Info

ID:	195649
PubChem CID:	78715341
Reduced:	ON2F3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	418.132885
ΔH_f, kcal/mol:	-132.06
Dipole, Da:	7.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.850178
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations