Geometry & MOs

Info

ID:	85571
PubChem CID:	49877008
Reduced:	ClNOC10H21 (1)
Stoich.:	ABCD10E21 (1)
Weight, g/mol:	332.105346
ΔH_f, kcal/mol:	-87.8
Dipole, Da:	4.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754687
Charge, e:	-1

Chem-info

IUPAC name:

N-[(2-prop-2-enoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine;chloride

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CNC(C)(C)C.[Cl-]

DOS

IR

Vibrations