Geometry & MOs

Info

ID:	273468
PubChem CID:	103771173
Reduced:	NO3C10H21 (1)
Stoich.:	AB3C10D21 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-166.44
Dipole, Da:	2.32
IP(EA), eV:	-9.65(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

Drug info:

PubChemData

Smile

CCOCC(=O)NCC(CC(C)C)O

DOS

IR

Vibrations