Geometry & MOs

Info

ID:	380875
PubChem CID:	134971457
Reduced:	N2O6C18H25 (1)
Stoich.:	A2B6C18D25 (1)
Weight, g/mol:	320.13509
ΔH_f, kcal/mol:	-191.32
Dipole, Da:	4.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813259
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopropyl)-2-hexyl-5,5-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

COC(=O)CC(C(=O)OC)([N+]12CCN(CC1)CC2)OC3=CC=CC=C3O

DOS

IR

Vibrations