Geometry & MOs

Info

ID:	273498
PubChem CID:	103771226
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-55.12
Dipole, Da:	3.58
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=CS1)N2C=CC=C2)O

DOS

IR

Vibrations