Geometry & MOs

Info

ID:	410537
PubChem CID:	135083335
Reduced:	N2O2H20C23 (1)
Stoich.:	A2B2C20D23 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	5.89
IP(EA), eV:	-9.38(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-2,2-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC(=CC(=O)NCCC1=CC(=O)C2=CC=CC3=C2C1=NC4=CC=CC=C34)C

DOS

IR

Vibrations