Geometry & MOs

Info

ID:	273412
PubChem CID:	103771058
Reduced:	NO3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-161.12
Dipole, Da:	2.02
IP(EA), eV:	-9.83(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)COC)O

DOS

IR

Vibrations