Geometry & MOs

Info

ID:	5877
PubChem CID:	13942
Reduced:	NO3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	280.191269
ΔH_f, kcal/mol:	-90.27
Dipole, Da:	2.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751827
Charge, e:	1

Chem-info

IUPAC name:

[5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2

DOS

IR

Vibrations