Geometry & MOs

Info

ID:	225575
PubChem CID:	85856190
Reduced:	NSSeC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	67.97
Dipole, Da:	3.05
IP(EA), eV:	-8.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxan-5-yl]methanol

Drug info:

PubChemData

Smile

CN(C)CC(=C[Se]C1=CC=CC=C1)SC2=CC=CC=C2

DOS

IR

Vibrations