Geometry & MOs

Info

ID:	446966
PubChem CID:	135279154
Reduced:	NOC14H30 (1)
Stoich.:	ABC14D30 (1)
Weight, g/mol:	518.278072
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	3.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752591
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[2-[2-[4-[2-[3-[5-(4-methylphenoxy)pentyl]-1,2-oxazol-5-yl]ethyl]phenoxy]ethoxy]ethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CCC(C)(CC[N+](C)(C)CCO)CC(=C)C

DOS

IR

Vibrations