Geometry & MOs

Info

ID:	230362
PubChem CID:	87570720
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	-31.72
Dipole, Da:	7.52
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[4-(1-pyridin-4-ylethylideneamino)oxybutyl]-1,3-dioxane-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=S)C1(C=CC=CC1C=O)O

DOS

IR

Vibrations