Geometry & MOs

Info

ID:	88699
PubChem CID:	49956147
Reduced:	ClO3N5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	378.147211
ΔH_f, kcal/mol:	18.07
Dipole, Da:	6.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750032
Charge, e:	-1

Chem-info

IUPAC name:

2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methylamino]-2-methylpropan-1-ol;chloride

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNCCNC(=O)C2=NON=C2N.[Cl-]

DOS

IR

Vibrations