Geometry & MOs

Info

ID:	280331
PubChem CID:	103848477
Reduced:	NO2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-210.95
Dipole, Da:	5.22
IP(EA), eV:	-9.68(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNCC1(CCOC1)O

DOS

IR

Vibrations