Geometry & MOs

Info

ID:	383498
PubChem CID:	134975254
Reduced:	NC16F17H18 (1)
Stoich.:	AB16C17D18 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-868.6
Dipole, Da:	4.28
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one

Drug info:

PubChemData

Smile

CC(C)N(C)C(C)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations