Geometry & MOs

Info

ID:	390959
PubChem CID:	135001835
Reduced:	NC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	44.15
Dipole, Da:	2.32
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-dioxepine

Drug info:

PubChemData

Smile

C1CCC(C/C=C\C1)C2=CC3=CC=CC=C3N=C2

DOS

IR

Vibrations