Geometry & MOs

Info

ID:	396495
PubChem CID:	135028587
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	32.65
Dipole, Da:	2.99
IP(EA), eV:	-8.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-methyl-6-phenyl-3,6-dihydro-1,2-dioxine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations